N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide

C14H27N3O2S — CID 97238808

IUPACN-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CC[C@@H]2[C@H](CCCN2C2CC2)C1
InChIInChI=1S/C14H27N3O2S/c1-20(18,19)15-7-10-16-9-6-14-12(11-16)3-2-8-17(14)13-4-5-13/h12-15H,2-11H2,1H3/t12-,14-/m1/s1
InChIKeyBGPPRHXOMFBJTR-TZMCWYRMSA-N
MW301.46 g/mol
LogP0.48
Rot. Bonds5

About N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide

N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide (PubChem CID 97238808) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide
PubChem CID97238808
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC NameN-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CC[C@@H]2[C@H](CCCN2C2CC2)C1
InChIInChI=1S/C14H27N3O2S/c1-20(18,19)15-7-10-16-9-6-14-12(11-16)3-2-8-17(14)13-4-5-13/h12-15H,2-11H2,1H3/t12-,14-/m1/s1
InChIKeyBGPPRHXOMFBJTR-TZMCWYRMSA-N
XLogP0.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide with MolForge

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Related Compounds

N-[2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 119930356
6-Methyl-1,3,4,4a,5,7,8,8a-octahydropyrido[4,3-c]thiazine 2,2-dioxide
CID 59254838
1-[4-(2-Methylpropyl)-1-methylsulfonylpiperidin-4-yl]piperazine
CID 59639418
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 43628730
N-[1-(1-methylpiperidin-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 43628732
[2-(4-Methylsulfonylpiperazin-1-yl)cyclohexyl]methanamine
CID 62994107
1-Methylsulfonyl-4-(3-piperidin-3-ylpropyl)piperazine
CID 63002976
2-[(4-Methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63004182
1-(3-Methylpiperidin-4-yl)-4-methylsulfonylpiperazine
CID 64199416
2-[(4-Methylsulfonylpiperazin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 66469028
6-Methyl-1-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 71968195
N'-cyclopropyl-N'-[(1-methylsulfonylpiperidin-3-yl)methyl]ethane-1,2-diamine
CID 79604454

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide (CID 97238808) is N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCN1CC[C@@H]2[C@H](CCCN2C2CC2)C1.
What is the InChIKey of N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide?
The InChIKey is BGPPRHXOMFBJTR-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-20(18,19)15-7-10-16-9-6-14-12(11-16)3-2-8-17(14)13-4-5-13/h12-15H,2-11H2,1H3/t12-,14-/m1/s1.
What are the key properties of N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide?
N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide has a molecular weight of 301.46 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 97238808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).