N-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide

C11H24N2O2S2 — CID 99790709

IUPACN-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide
SMILESCCS[C@H]1CCCC[C@H]1NCCNS(C)(=O)=O
InChIInChI=1S/C11H24N2O2S2/c1-3-16-11-7-5-4-6-10(11)12-8-9-13-17(2,14)15/h10-13H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyHGVJWDMTLMLQOB-MNOVXSKESA-N
MW280.46 g/mol
LogP1.19
Rot. Bonds7

About N-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide

N-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide (PubChem CID 99790709) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide
PubChem CID99790709
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC NameN-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide
SMILESCCS[C@H]1CCCC[C@H]1NCCNS(C)(=O)=O
InChIInChI=1S/C11H24N2O2S2/c1-3-16-11-7-5-4-6-10(11)12-8-9-13-17(2,14)15/h10-13H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyHGVJWDMTLMLQOB-MNOVXSKESA-N
XLogP1.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]propan-1-ol
CID 99829767
N-(2-ethylsulfanylcyclopentyl)ethanesulfonamide
CID 103727787
3-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]-N-methylpropanamide
CID 124844755
2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 115714483
N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide
CID 43771846
N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]methanesulfonamide
CID 82853111
cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine
CID 99829754
2-(2-methylpropylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611531
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
cis-(1S,2R)-2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine
CID 124681069
2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106093444
2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine
CID 64627611

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide (CID 99790709) is N-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide is CCS[C@H]1CCCC[C@H]1NCCNS(C)(=O)=O.
What is the InChIKey of N-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide?
The InChIKey is HGVJWDMTLMLQOB-MNOVXSKESA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-3-16-11-7-5-4-6-10(11)12-8-9-13-17(2,14)15/h10-13H,3-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of N-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide?
N-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide has a molecular weight of 280.46 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R,2S)-2-ethylsulfanylcyclohexyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 99790709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).