2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide

C13H26N2OS — CID 66225184

IUPAC2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSCC(C)CN)CC1
InChIInChI=1S/C13H26N2OS/c1-10-3-5-12(6-4-10)15-13(16)9-17-8-11(2)7-14/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyIILWCTZVLMQPTG-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.01
Rot. Bonds6

About 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide

2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 66225184) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
PubChem CID66225184
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CSCC(C)CN)CC1
InChIInChI=1S/C13H26N2OS/c1-10-3-5-12(6-4-10)15-13(16)9-17-8-11(2)7-14/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyIILWCTZVLMQPTG-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-2-methylpropyl)sulfanyl-N-(oxan-4-yl)acetamide
CID 66225169
N-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105990
N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105597
2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 66225900
3-amino-N-(4-methylcyclohexyl)butanamide
CID 60835833
2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide
CID 66234862
(3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide
CID 89423792
2-(3-amino-2-methylpropyl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 66226077
2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 43249136
4-amino-N-cyclobutyl-3-methylbutanamide
CID 81086885
2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43176432
N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide (CID 66225184) is 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)CSCC(C)CN)CC1.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is IILWCTZVLMQPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-10-3-5-12(6-4-10)15-13(16)9-17-8-11(2)7-14/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide?
2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 258.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 66225184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).