N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide

C12H24N2O3S — CID 35612991

IUPACN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)N1CCCCCC1)[C@H]1CCCO1
InChIInChI=1S/C12H24N2O3S/c1-11(12-7-6-10-17-12)13-18(15,16)14-8-4-2-3-5-9-14/h11-13H,2-10H2,1H3/t11-,12-/m1/s1
InChIKeyLIRITWRJZLRUOK-VXGBXAGGSA-N
MW276.40 g/mol
LogP1.26
Rot. Bonds4

About N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide

N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide (PubChem CID 35612991) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide
PubChem CID35612991
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)N1CCCCCC1)[C@H]1CCCO1
InChIInChI=1S/C12H24N2O3S/c1-11(12-7-6-10-17-12)13-18(15,16)14-8-4-2-3-5-9-14/h11-13H,2-10H2,1H3/t11-,12-/m1/s1
InChIKeyLIRITWRJZLRUOK-VXGBXAGGSA-N
XLogP1.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide
CID 35250271
N-(1-piperidin-3-ylethyl)piperidine-1-sulfonamide
CID 43523454
1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 38311387
4-chloro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 6465192
4-(azepan-1-ylsulfonyl)-2-nitro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]aniline
CID 25337190
N-(1-aminoethyl)pyrrolidine-1-sulfonamide
CID 117126220
2-hydroxy-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 81241326
N-but-3-yn-2-ylazepane-1-sulfonamide
CID 114419133
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
methyl 2-(piperidin-1-ylsulfonylamino)propanoate
CID 60723843
N-(1-cyclohexylethyl)piperazine-1-sulfonamide
CID 62407590
2-chloro-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 43533896

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide (CID 35612991) is N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide is C[C@@H](NS(=O)(=O)N1CCCCCC1)[C@H]1CCCO1.
What is the InChIKey of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide?
The InChIKey is LIRITWRJZLRUOK-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-11(12-7-6-10-17-12)13-18(15,16)14-8-4-2-3-5-9-14/h11-13H,2-10H2,1H3/t11-,12-/m1/s1.
What are the key properties of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide?
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide is sourced from PubChem (CID 35612991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).