N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide

C22H38N4O2S — CID 166229765

IUPACN-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)NCC1CCCCN1C1CC1)NCC1CCCCN1C1CC1
InChIInChI=1S/C22H38N4O2S/c27-21(23-13-19-5-1-3-11-25(19)17-7-8-17)15-29-16-22(28)24-14-20-6-2-4-12-26(20)18-9-10-18/h17-20H,1-16H2,(H,23,27)(H,24,28)
InChIKeyKPTSJULQMDXNCV-UHFFFAOYSA-N
MW422.64 g/mol
LogP1.99
Rot. Bonds10

About N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide

N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide (PubChem CID 166229765) has the molecular formula C22H38N4O2S and a molecular weight of 422.64 g/mol. Its IUPAC name is N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide
PubChem CID166229765
Molecular FormulaC22H38N4O2S
Molecular Weight422.64 g/mol
Exact Mass422.27
IUPAC NameN-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)NCC1CCCCN1C1CC1)NCC1CCCCN1C1CC1
InChIInChI=1S/C22H38N4O2S/c27-21(23-13-19-5-1-3-11-25(19)17-7-8-17)15-29-16-22(28)24-14-20-6-2-4-12-26(20)18-9-10-18/h17-20H,1-16H2,(H,23,27)(H,24,28)
InChIKeyKPTSJULQMDXNCV-UHFFFAOYSA-N
XLogP1.99
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.64
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-cyclohexylpiperidin-2-yl)methyl]acetamide
CID 70842242
tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate
CID 175669782
tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate
CID 10684329
1-[(1-cyclopropylpiperidin-2-yl)methyl]-3-(2-methylpyrimidin-4-yl)urea
CID 154785059
tert-butyl N-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]carbamate
CID 10800963
(1-cyclopropylpiperidin-2-yl)methanamine
CID 83694601
N-[(1-cyclopentylpiperidin-2-yl)methyl]-2-methylpropan-2-amine
CID 63849757
(3R)-3-N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 100655923
N-[2-(1-cyclopentylpiperidin-2-yl)ethyl]-3-methylsulfanylpropanamide;formic acid
CID 154909119
N-[[1-(4-ethylcyclohexyl)piperidin-2-yl]methyl]ethanamine
CID 64775306
1-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-3-[2-(dimethylamino)-4-pyridinyl]urea
CID 164635330
3-(1-cycloheptylpiperidin-2-yl)propanoic acid
CID 65062233

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide (CID 166229765) is N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide is O=C(CSCC(=O)NCC1CCCCN1C1CC1)NCC1CCCCN1C1CC1.
What is the InChIKey of N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is KPTSJULQMDXNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O2S/c27-21(23-13-19-5-1-3-11-25(19)17-7-8-17)15-29-16-22(28)24-14-20-6-2-4-12-26(20)18-9-10-18/h17-20H,1-16H2,(H,23,27)(H,24,28).
What are the key properties of N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide?
N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 422.64 g/mol, XLogP of 1.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpiperidin-2-yl)methyl]-2-[2-[(1-cyclopropylpiperidin-2-yl)methylamino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 166229765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).