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

C10H22N2O2S2 — CID 84591017

IUPACN-[2-(3-methylsulfanylazepan-1-yl)ethyl]methanesulfonamide
SMILESCSC1CCCCN(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
InChIKeyOVFHWMPZQVRHHZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP0.75
Rot. Bonds5

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

N-[2-(3-methylsulfanylazepan-1-yl)ethyl]methanesulfonamide (PubChem CID 84591017) has the molecular formula C10H22N2O2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[2-(3-methylsulfanylazepan-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methylsulfanylazepan-1-yl)ethyl]methanesulfonamide
PubChem CID84591017
Molecular FormulaC10H22N2O2S2
Molecular Weight266.43 g/mol
Exact Mass266.11
IUPAC NameN-[2-(3-methylsulfanylazepan-1-yl)ethyl]methanesulfonamide
SMILESCSC1CCCCN(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
InChIKeyOVFHWMPZQVRHHZ-UHFFFAOYSA-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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Related Compounds

N-[2-[(3S)-3-methylsulfanylazepan-1-yl]ethyl]methanesulfonamide
CID 97238803
N-[2-(3-aminopiperidin-1-yl)ethyl]methanesulfonamide;hydrochloride
CID 119910084
2-(3-methylsulfanylpiperidin-1-yl)ethanamine
CID 130909559
N-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide;hydrochloride
CID 119915689
N-[2-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)ethyl]methanesulfonamide
CID 75469233
N-[2-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]ethyl]methanesulfonamide
CID 97238808
N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide
CID 86842614
(3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylsulfanylazepane-1-carboxamide
CID 97246357
N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide
CID 154739693
N-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]methanesulfonamide
CID 122138763
N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide
CID 55066683
N-[2-[3-(methylamino)piperidin-1-yl]ethyl]ethanesulfonamide;hydrochloride
CID 119920149

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylsulfanylazepan-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(3-methylsulfanylazepan-1-yl)ethyl]methanesulfonamide (CID 84591017) is N-[2-(3-methylsulfanylazepan-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-methylsulfanylazepan-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-methylsulfanylazepan-1-yl)ethyl]methanesulfonamide is CSC1CCCCN(CCNS(C)(=O)=O)C1.
What is the InChIKey of N-[2-(3-methylsulfanylazepan-1-yl)ethyl]methanesulfonamide?
The InChIKey is OVFHWMPZQVRHHZ-UHFFFAOYSA-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.
What are the key properties of N-[2-(3-methylsulfanylazepan-1-yl)ethyl]methanesulfonamide?
N-[2-(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-(3-methylsulfanylazepan-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 84591017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).