N-[[(2S)-oxolan-2-yl]methyl]azepane-1-sulfonamide

C11H22N2O3S — CID 31064759

IUPACN-[[(2S)-oxolan-2-yl]methyl]azepane-1-sulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCO1)N1CCCCCC1
InChIInChI=1S/C11H22N2O3S/c14-17(15,12-10-11-6-5-9-16-11)13-7-3-1-2-4-8-13/h11-12H,1-10H2/t11-/m0/s1
InChIKeyMOSRAHVQMVEECZ-NSHDSACASA-N
MW262.37 g/mol
LogP0.88
Rot. Bonds4

About N-[[(2S)-oxolan-2-yl]methyl]azepane-1-sulfonamide

N-[[(2S)-oxolan-2-yl]methyl]azepane-1-sulfonamide (PubChem CID 31064759) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]azepane-1-sulfonamide
PubChem CID31064759
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]azepane-1-sulfonamide
SMILESO=S(=O)(NC[C@@H]1CCCO1)N1CCCCCC1
InChIInChI=1S/C11H22N2O3S/c14-17(15,12-10-11-6-5-9-16-11)13-7-3-1-2-4-8-13/h11-12H,1-10H2/t11-/m0/s1
InChIKeyMOSRAHVQMVEECZ-NSHDSACASA-N
XLogP0.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(oxolan-2-ylmethyl)azepane-1-sulfonamide
CID 71937192
N-[[(2R)-oxolan-2-yl]methyl]azepane-1-sulfonamide
CID 31064761
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]azepane-1-sulfonamide
CID 35612983
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]azepane-1-sulfonamide
CID 35612987
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide
CID 35612991
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]azepane-1-sulfonamide
CID 35612994
N-(oxolan-2-ylmethyl)azepane-1-sulfonamide
CID 43042411
N-(oxolan-2-ylmethyl)piperidine-1-sulfonamide
CID 43047608
2-[(Diethylsulfamoylamino)methyl]oxolane
CID 45804185
N-[1-(oxolan-2-yl)ethyl]azepane-1-sulfonamide
CID 45811197
N-(oxan-2-ylmethyl)azepane-1-sulfonamide
CID 47408272
N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-sulfonamide
CID 51886370

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]azepane-1-sulfonamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]azepane-1-sulfonamide (CID 31064759) is N-[[(2S)-oxolan-2-yl]methyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]azepane-1-sulfonamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]azepane-1-sulfonamide is O=S(=O)(NC[C@@H]1CCCO1)N1CCCCCC1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]azepane-1-sulfonamide?
The InChIKey is MOSRAHVQMVEECZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2O3S/c14-17(15,12-10-11-6-5-9-16-11)13-7-3-1-2-4-8-13/h11-12H,1-10H2/t11-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]azepane-1-sulfonamide?
N-[[(2S)-oxolan-2-yl]methyl]azepane-1-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]azepane-1-sulfonamide is sourced from PubChem (CID 31064759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).