N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide

C11H15N5O2S — CID 163354148

IUPACN-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2nccc(C#N)n2)C1
InChIInChI=1S/C11H15N5O2S/c1-19(17,18)15-10-3-2-6-16(8-10)11-13-5-4-9(7-12)14-11/h4-5,10,15H,2-3,6,8H2,1H3
InChIKeyPDGZMJPOLDZTCM-UHFFFAOYSA-N
MW281.34 g/mol
LogP-0.13
Rot. Bonds3

About N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide

N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide (PubChem CID 163354148) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
PubChem CID163354148
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2nccc(C#N)n2)C1
InChIInChI=1S/C11H15N5O2S/c1-19(17,18)15-10-3-2-6-16(8-10)11-13-5-4-9(7-12)14-11/h4-5,10,15H,2-3,6,8H2,1H3
InChIKeyPDGZMJPOLDZTCM-UHFFFAOYSA-N
XLogP-0.13
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-(dimethylamino)pyrimidin-2-yl]piperidin-3-yl]methanesulfonamide
CID 163352763
2-(3-methoxypiperidin-1-yl)pyrimidine-4-carbonitrile
CID 107545426
2-[3-(fluoromethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 155941665
1-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166605206
N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]methanesulfonamide
CID 133296952
2-(2-ethyl-1,4-oxazepan-4-yl)pyrimidine-4-carbonitrile
CID 114218412
N-(1-pyrazin-2-ylpiperidin-3-yl)methanesulfonamide
CID 163354597
N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide
CID 163354197
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552490
2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carbonitrile
CID 107544773
2-(3,4-dimethoxypyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 107545460

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide (CID 163354148) is N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(c2nccc(C#N)n2)C1.
What is the InChIKey of N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide?
The InChIKey is PDGZMJPOLDZTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-19(17,18)15-10-3-2-6-16(8-10)11-13-5-4-9(7-12)14-11/h4-5,10,15H,2-3,6,8H2,1H3.
What are the key properties of N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide?
N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide has a molecular weight of 281.34 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 163354148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).