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

C14H28N2OS — CID 66225900

IUPAC2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CSCC(C)CN)CC1
InChIInChI=1S/C14H28N2OS/c1-11-4-6-13(7-5-11)16(3)14(17)10-18-9-12(2)8-15/h11-13H,4-10,15H2,1-3H3
InChIKeyRBGHWBRVGOQDDA-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.35
Rot. Bonds6

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

2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 66225900) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
PubChem CID66225900
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(N(C)C(=O)CSCC(C)CN)CC1
InChIInChI=1S/C14H28N2OS/c1-11-4-6-13(7-5-11)16(3)14(17)10-18-9-12(2)8-15/h11-13H,4-10,15H2,1-3H3
InChIKeyRBGHWBRVGOQDDA-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N,4-dimethyl-N-(4-methylcyclohexyl)pentanamide
CID 82011588
2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide
CID 66227187
2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 66225184
2-(3-amino-2-methylpropyl)sulfanyl-N-ethyl-N-methylacetamide
CID 66227723
2-iodo-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 64786622
2-(3-amino-2-methylpropyl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 66225906
2-[2-hydroxypropyl(methyl)amino]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 55060589
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 81493466
N-methyl-N-(4-methylcyclohexyl)-3-oxobutanamide
CID 18073230
2-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 32916537
2-(2-amino-3-methylphenyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 79130662
3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 43346623

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide (CID 66225900) is 2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide is CC1CCC(N(C)C(=O)CSCC(C)CN)CC1.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is RBGHWBRVGOQDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-11-4-6-13(7-5-11)16(3)14(17)10-18-9-12(2)8-15/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide?
2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 272.46 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfanyl-N-methyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 66225900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).