N-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide

C11H22N2OS — CID 107024124

IUPACN-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide
SMILESCC(C)C(S)C(=O)NC1CCCCC1N
InChIInChI=1S/C11H22N2OS/c1-7(2)10(15)11(14)13-9-6-4-3-5-8(9)12/h7-10,15H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyMSWWRSZJPPQYLM-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.33
Rot. Bonds3

About N-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide

N-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide (PubChem CID 107024124) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide
PubChem CID107024124
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide
SMILESCC(C)C(S)C(=O)NC1CCCCC1N
InChIInChI=1S/C11H22N2OS/c1-7(2)10(15)11(14)13-9-6-4-3-5-8(9)12/h7-10,15H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyMSWWRSZJPPQYLM-UHFFFAOYSA-N
XLogP1.33
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methyl-N-(3-methylbutyl)pentanamide
CID 44351835
(S)-N-((S)-1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-mercaptoacetamido)-3-methylbutanamide
CID 46882379
(2S,3R)-N-((S)-1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-mercaptoacetamido)-3-methylpentanamide
CID 46882644
(+-)-Trans-1,2-bis(2-mercaptoacetamido)cyclohexane
CID 10015594
Leucinamide, N-(2-mercaptoethyl)-, hydrobromide
CID 3078312
(4R)-4-[[(2-amino-3-methylbutanoyl)amino]methyl]-5-sulfanylpentanamide
CID 44343387
(S)-2-((S)-2-(2-mercaptoacetamido)propanamido)-3-methylbutanamide
CID 46882164
(S)-2-((S)-2-(2-mercaptoacetamido)propanamido)-4-methylpentanamide
CID 46882165
(S)-6-amino-2-((S)-2-(2-mercaptoacetamido)-3-methylbutanamido)hexanamide
CID 46882375
(S)-2-((S)-2-(2-mercaptoacetamido)-3-methylbutanamido)-4-methylpentanamide
CID 46882426
(S)-2-(2-(2-mercaptoacetamido)acetamido)-3-methylbutanamide
CID 46882496
(S)-2-(2-(2-mercaptoacetamido)acetamido)-4-methylpentanamide
CID 46882497

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide?
The IUPAC name of N-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide (CID 107024124) is N-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide?
The canonical SMILES for N-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide is CC(C)C(S)C(=O)NC1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide?
The InChIKey is MSWWRSZJPPQYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-7(2)10(15)11(14)13-9-6-4-3-5-8(9)12/h7-10,15H,3-6,12H2,1-2H3,(H,13,14).
What are the key properties of N-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide?
N-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide has a molecular weight of 230.38 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-3-methyl-2-sulfanylbutanamide is sourced from PubChem (CID 107024124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).