2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide

C14H26N2OS — CID 114235017

IUPAC2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide
SMILESCC(C)C1CCC(N)C(SCC(=O)NC2CC2)C1
InChIInChI=1S/C14H26N2OS/c1-9(2)10-3-6-12(15)13(7-10)18-8-14(17)16-11-4-5-11/h9-13H,3-8,15H2,1-2H3,(H,16,17)
InChIKeyAOJVCRVEROEDJV-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.15
Rot. Bonds5

About 2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide

2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide (PubChem CID 114235017) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide
PubChem CID114235017
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide
SMILESCC(C)C1CCC(N)C(SCC(=O)NC2CC2)C1
InChIInChI=1S/C14H26N2OS/c1-9(2)10-3-6-12(15)13(7-10)18-8-14(17)16-11-4-5-11/h9-13H,3-8,15H2,1-2H3,(H,16,17)
InChIKeyAOJVCRVEROEDJV-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide
CID 66234862
2-(dimethylamino)-N-(3-propan-2-ylcyclopentyl)acetamide
CID 90085459
methyl 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylpropanoate
CID 78842715
3-(diaminomethylideneamino)-N-(4-propan-2-ylcyclohexyl)propanamide
CID 134484614
1,1-dimethyl-3-(4-propan-2-ylcyclohexyl)urea
CID 127484817
2-[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-N-cyclopropylacetamide
CID 72926431
N-cyclopropyl-3-[(3-propan-2-ylcyclohexyl)amino]propanamide
CID 107448606
1-(aminomethyl)-N-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxamide
CID 71234398
methyl 2-[2-(ethylamino)-5-propan-2-ylcyclohexyl]sulfanylacetate
CID 64613535
2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 66225184
2-cyclohexylsulfanyl-4-propan-2-ylcyclohexan-1-amine
CID 64634808
2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-(4-propan-2-ylcyclohexyl)acetamide
CID 153459202

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide?
The IUPAC name of 2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide (CID 114235017) is 2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide?
The canonical SMILES for 2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide is CC(C)C1CCC(N)C(SCC(=O)NC2CC2)C1.
What is the InChIKey of 2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide?
The InChIKey is AOJVCRVEROEDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-9(2)10-3-6-12(15)13(7-10)18-8-14(17)16-11-4-5-11/h9-13H,3-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide?
2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide has a molecular weight of 270.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-propan-2-ylcyclohexyl)sulfanyl-N-cyclopropylacetamide is sourced from PubChem (CID 114235017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).