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

C10H21N3O3S — CID 124896412

IUPAC(4aS,8aR)-4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@]2(O)CCNC[C@@H]2C1
InChIInChI=1S/C10H21N3O3S/c1-12(2)17(15,16)13-6-4-10(14)3-5-11-7-9(10)8-13/h9,11,14H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeySWGUOGNOYNFCJR-ZJUUUORDSA-N
MW263.36 g/mol
LogP-1.16
Rot. Bonds2

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

(4aS,8aR)-4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-sulfonamide (PubChem CID 124896412) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is (4aS,8aR)-4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-sulfonamide.

Molecular Properties

Compound Name(4aS,8aR)-4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-sulfonamide
PubChem CID124896412
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name(4aS,8aR)-4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC[C@@]2(O)CCNC[C@@H]2C1
InChIInChI=1S/C10H21N3O3S/c1-12(2)17(15,16)13-6-4-10(14)3-5-11-7-9(10)8-13/h9,11,14H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeySWGUOGNOYNFCJR-ZJUUUORDSA-N
XLogP-1.16
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4aS,8aS)-7-[(3,5-difluorophenyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide
CID 133112687
(4aR,8aR)-7-(4-cyano-2-pyridinyl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide
CID 72866848
(4aS,8aS)-7-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-1,2,3,4,5,6,8,8a-octahydro-2,7-naphthyridin-4a-ol
CID 72913599
(4aS,8aS)-7-(3-cyano-6-methyl-2-pyridinyl)-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide
CID 133130825
7-[(5-ethyl-2-pyridinyl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide
CID 156603615
2-piperazin-1-ylsulfonyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115445
N-butyl-4a-hydroxy-N-methyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-sulfonamide
CID 81103069
(4aR,8aR)-7-[(1-cyclopropylimidazol-2-yl)methyl]-4a-hydroxy-N,N-dimethyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridine-2-sulfonamide
CID 72896549
N,N-dimethyl-4-pyrrolidin-3-ylpiperidine-1-sulfonamide
CID 115269628
4-hydroxy-N,N-dimethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 39354945
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl)-[4-[2-(dimethylamino)phenyl]phenyl]methanone
CID 156609624
(4aS,8aS)-7-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2,3,4,5,6,8,8a-octahydro-2,7-naphthyridin-4a-ol
CID 72879906

Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-sulfonamide?
The IUPAC name of (4aS,8aR)-4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-sulfonamide (CID 124896412) is (4aS,8aR)-4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-sulfonamide.
What is the SMILES notation for (4aS,8aR)-4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-sulfonamide?
The canonical SMILES for (4aS,8aR)-4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-sulfonamide is CN(C)S(=O)(=O)N1CC[C@@]2(O)CCNC[C@@H]2C1.
What is the InChIKey of (4aS,8aR)-4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-sulfonamide?
The InChIKey is SWGUOGNOYNFCJR-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-12(2)17(15,16)13-6-4-10(14)3-5-11-7-9(10)8-13/h9,11,14H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (4aS,8aR)-4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-sulfonamide?
(4aS,8aR)-4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-sulfonamide has a molecular weight of 263.36 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-4a-hydroxy-N,N-dimethyl-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridine-2-sulfonamide is sourced from PubChem (CID 124896412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).