N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride

C16H27ClN4OS — CID 119591555

IUPACN-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride
SMILESCc1cc(C)nc(SCC(=O)NC(CN)C2CCCCC2)n1.Cl
InChIInChI=1S/C16H26N4OS.ClH/c1-11-8-12(2)19-16(18-11)22-10-15(21)20-14(9-17)13-6-4-3-5-7-13;/h8,13-14H,3-7,9-10,17H2,1-2H3,(H,20,21);1H
InChIKeyNLIJDDYZNVYUGO-UHFFFAOYSA-N
MW358.94 g/mol
LogP2.63
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride (PubChem CID 119591555) has the molecular formula C16H27ClN4OS and a molecular weight of 358.94 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride
PubChem CID119591555
Molecular FormulaC16H27ClN4OS
Molecular Weight358.94 g/mol
Exact Mass358.16
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride
SMILESCc1cc(C)nc(SCC(=O)NC(CN)C2CCCCC2)n1.Cl
InChIInChI=1S/C16H26N4OS.ClH/c1-11-8-12(2)19-16(18-11)22-10-15(21)20-14(9-17)13-6-4-3-5-7-13;/h8,13-14H,3-7,9-10,17H2,1-2H3,(H,20,21);1H
InChIKeyNLIJDDYZNVYUGO-UHFFFAOYSA-N
XLogP2.63
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.94
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 119591556
N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride
CID 119590714
1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine
CID 104755547
1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
CID 106738262
1-cyclohexyl-3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]thiourea
CID 4684324
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
CID 119590269
2-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119592007
N-(2-amino-1-cyclohexylethyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide;hydrochloride
CID 119589366
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119389604
N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
CID 119589977
(2S)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-3-methylbutanamide
CID 95615867
N-(2-amino-1-cyclohexylethyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119590638

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride (CID 119591555) is N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride is Cc1cc(C)nc(SCC(=O)NC(CN)C2CCCCC2)n1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride?
The InChIKey is NLIJDDYZNVYUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS.ClH/c1-11-8-12(2)19-16(18-11)22-10-15(21)20-14(9-17)13-6-4-3-5-7-13;/h8,13-14H,3-7,9-10,17H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride has a molecular weight of 358.94 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119591555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).