N-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

C15H22N4O2S — CID 162490546

IUPACN-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(C2=NCNc3ccccc32)C1
InChIInChI=1S/C15H22N4O2S/c1-22(20,21)18-9-12-5-4-8-19(10-12)15-13-6-2-3-7-14(13)16-11-17-15/h2-3,6-7,12,16,18H,4-5,8-11H2,1H3
InChIKeyVGUCJLPWRPTTAW-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.08
Rot. Bonds3

About N-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 162490546) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID162490546
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(C2=NCNc3ccccc32)C1
InChIInChI=1S/C15H22N4O2S/c1-22(20,21)18-9-12-5-4-8-19(10-12)15-13-6-2-3-7-14(13)16-11-17-15/h2-3,6-7,12,16,18H,4-5,8-11H2,1H3
InChIKeyVGUCJLPWRPTTAW-UHFFFAOYSA-N
XLogP1.08
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-(2-phenylpyrimidin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 95348327
N-[[(3S)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide
CID 97221826
N-[[1-(6-cyano-7-fluoro-2-hydroxy-1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide
CID 170290816
3-(methanesulfonamido)-N-[[(3R)-1-pyridin-2-ylpiperidin-3-yl]methyl]propanamide
CID 124749653
N-[[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methyl]methanesulfonamide
CID 42960358
N-[[1-[7-(1,3-oxazol-2-yl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 142582779
2,6-difluoro-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621915
N-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 71896595
(2S)-2-[(3S)-3-(methanesulfonamidomethyl)piperidin-1-yl]-2-phenylacetamide
CID 94446876
N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
(3R)-N-(2-fluorophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139041
N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 42960018

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide (CID 162490546) is N-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(C2=NCNc3ccccc32)C1.
What is the InChIKey of N-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is VGUCJLPWRPTTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-22(20,21)18-9-12-5-4-8-19(10-12)15-13-6-2-3-7-14(13)16-11-17-15/h2-3,6-7,12,16,18H,4-5,8-11H2,1H3.
What are the key properties of N-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2-dihydroquinazolin-4-yl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 162490546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).