(4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide

C19H29N3O3S — CID 26402349

IUPAC(4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide
SMILESC[C@H](C(=O)N1CCC[C@@H]2CN(S(=O)(=O)N(C)C)CC[C@@H]21)c1ccccc1
InChIInChI=1S/C19H29N3O3S/c1-15(16-8-5-4-6-9-16)19(23)22-12-7-10-17-14-21(13-11-18(17)22)26(24,25)20(2)3/h4-6,8-9,15,17-18H,7,10-14H2,1-3H3/t15-,17+,18-/m0/s1
InChIKeyDAJZYCPLVJBKQE-JQHSSLGASA-N
MW379.53 g/mol
LogP1.91
Rot. Bonds4

About (4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide

(4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide (PubChem CID 26402349) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is (4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide.

Molecular Properties

Compound Name(4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide
PubChem CID26402349
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name(4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide
SMILESC[C@H](C(=O)N1CCC[C@@H]2CN(S(=O)(=O)N(C)C)CC[C@@H]21)c1ccccc1
InChIInChI=1S/C19H29N3O3S/c1-15(16-8-5-4-6-9-16)19(23)22-12-7-10-17-14-21(13-11-18(17)22)26(24,25)20(2)3/h4-6,8-9,15,17-18H,7,10-14H2,1-3H3/t15-,17+,18-/m0/s1
InChIKeyDAJZYCPLVJBKQE-JQHSSLGASA-N
XLogP1.91
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide with MolForge

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Related Compounds

(4aS,8aR)-1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide
CID 133134087
(4aR,8aS)-N,N-dimethyl-1-[2-(4-methylsulfanylphenyl)acetyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide
CID 26341449
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide
CID 30379738
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloro-2-phenylethanone
CID 43628136
(3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 99953989
2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone
CID 117045936
(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone
CID 61164920
1-[(4aR,8aR)-1-benzoyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-methylpropan-1-one
CID 29182960
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 38018238
N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide
CID 45245950
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide?
The IUPAC name of (4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide (CID 26402349) is (4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide.
What is the SMILES notation for (4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide?
The canonical SMILES for (4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide is C[C@H](C(=O)N1CCC[C@@H]2CN(S(=O)(=O)N(C)C)CC[C@@H]21)c1ccccc1.
What is the InChIKey of (4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide?
The InChIKey is DAJZYCPLVJBKQE-JQHSSLGASA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-15(16-8-5-4-6-9-16)19(23)22-12-7-10-17-14-21(13-11-18(17)22)26(24,25)20(2)3/h4-6,8-9,15,17-18H,7,10-14H2,1-3H3/t15-,17+,18-/m0/s1.
What are the key properties of (4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide?
(4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide has a molecular weight of 379.53 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-N,N-dimethyl-1-[(2S)-2-phenylpropanoyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-sulfonamide is sourced from PubChem (CID 26402349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).