N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

C17H22N4O2S — CID 95348327

IUPACN-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H22N4O2S/c1-24(22,23)19-12-14-6-5-11-21(13-14)16-9-10-18-17(20-16)15-7-3-2-4-8-15/h2-4,7-10,14,19H,5-6,11-13H2,1H3/t14-/m0/s1
InChIKeyNAFJZCSPSRXSKP-AWEZNQCLSA-N
MW346.46 g/mol
LogP1.91
Rot. Bonds5

About N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 95348327) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID95348327
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H22N4O2S/c1-24(22,23)19-12-14-6-5-11-21(13-14)16-9-10-18-17(20-16)15-7-3-2-4-8-15/h2-4,7-10,14,19H,5-6,11-13H2,1H3/t14-/m0/s1
InChIKeyNAFJZCSPSRXSKP-AWEZNQCLSA-N
XLogP1.91
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide
CID 97221826
N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53033911
N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 42960018
3-(methanesulfonamido)-N-[[(3R)-1-pyridin-2-ylpiperidin-3-yl]methyl]propanamide
CID 124749653
N-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 162490546
N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071425
N-[[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide
CID 42960358
N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071449
(3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95055787
4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 133294152
4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine
CID 51108750
N-[[1-[5-(5-phenyltetrazol-2-yl)pentyl]piperidin-3-yl]methyl]methanesulfonamide
CID 56550592

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (CID 95348327) is N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1.
What is the InChIKey of N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is NAFJZCSPSRXSKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-24(22,23)19-12-14-6-5-11-21(13-14)16-9-10-18-17(20-16)15-7-3-2-4-8-15/h2-4,7-10,14,19H,5-6,11-13H2,1H3/t14-/m0/s1.
What are the key properties of N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 346.46 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 95348327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).