N-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide

C10H22N2O2S2 — CID 97238803

IUPACN-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide
SMILESCS[C@H]1CCCCN(CCNS(C)(=O)=O)C1
InChIInChI=1S/C10H22N2O2S2/c1-15-10-5-3-4-7-12(9-10)8-6-11-16(2,13)14/h10-11H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyOVFHWMPZQVRHHZ-JTQLQIEISA-N
MW266.43 g/mol
LogP0.75
Rot. Bonds5

About N-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide

N-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide (PubChem CID 97238803) has the molecular formula C10H22N2O2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide
PubChem CID97238803
Molecular FormulaC10H22N2O2S2
Molecular Weight266.43 g/mol
Exact Mass266.11
IUPAC NameN-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide
SMILESCS[C@H]1CCCCN(CCNS(C)(=O)=O)C1
InChIInChI=1S/C10H22N2O2S2/c1-15-10-5-3-4-7-12(9-10)8-6-11-16(2,13)14/h10-11H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyOVFHWMPZQVRHHZ-JTQLQIEISA-N
XLogP0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide (CID 97238803) is N-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide is CS[C@H]1CCCCN(CCNS(C)(=O)=O)C1.
What is the InChIKey of N-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide?
The InChIKey is OVFHWMPZQVRHHZ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22N2O2S2/c1-15-10-5-3-4-7-12(9-10)8-6-11-16(2,13)14/h10-11H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide?
N-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide has a molecular weight of 266.43 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 97238803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).