N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide

C15H22N4OS — CID 171328377

IUPACN-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
SMILESCSc1nccc(N2CCC(N(C)C(=O)C3CC3)CC2)n1
InChIInChI=1S/C15H22N4OS/c1-18(14(20)11-3-4-11)12-6-9-19(10-7-12)13-5-8-16-15(17-13)21-2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3
InChIKeyYWKLLSVPNKEFKA-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.04
Rot. Bonds4

About N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide

N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 171328377) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID171328377
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC NameN-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide
SMILESCSc1nccc(N2CCC(N(C)C(=O)C3CC3)CC2)n1
InChIInChI=1S/C15H22N4OS/c1-18(14(20)11-3-4-11)12-6-9-19(10-7-12)13-5-8-16-15(17-13)21-2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3
InChIKeyYWKLLSVPNKEFKA-UHFFFAOYSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide 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

[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602561
N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
CID 155975756
tert-butyl N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 71648616
tert-butyl 4-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24958508
[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]carbamic acid
CID 122651730
1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea
CID 166603310
4-[[methyl-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzonitrile
CID 91810394
N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175649144
2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172892095
1,1,3-trimethyl-3-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]urea
CID 166603402
[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155975861
N-methyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328562

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide (CID 171328377) is N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide is CSc1nccc(N2CCC(N(C)C(=O)C3CC3)CC2)n1.
What is the InChIKey of N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is YWKLLSVPNKEFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-18(14(20)11-3-4-11)12-6-9-19(10-7-12)13-5-8-16-15(17-13)21-2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide?
N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 171328377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).