N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide

C16H25N5O3S — CID 167923654

IUPACN-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
SMILESCNS(=O)(=O)CC1CCCN(C(=O)Nc2cnc(C)nc2C2CC2)C1
InChIInChI=1S/C16H25N5O3S/c1-11-18-8-14(15(19-11)13-5-6-13)20-16(22)21-7-3-4-12(9-21)10-25(23,24)17-2/h8,12-13,17H,3-7,9-10H2,1-2H3,(H,20,22)
InChIKeyABCHFBFVMUALCJ-UHFFFAOYSA-N
MW367.48 g/mol
LogP1.46
Rot. Bonds5

About N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide

N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide (PubChem CID 167923654) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
PubChem CID167923654
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC NameN-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
SMILESCNS(=O)(=O)CC1CCCN(C(=O)Nc2cnc(C)nc2C2CC2)C1
InChIInChI=1S/C16H25N5O3S/c1-11-18-8-14(15(19-11)13-5-6-13)20-16(22)21-7-3-4-12(9-21)10-25(23,24)17-2/h8,12-13,17H,3-7,9-10H2,1-2H3,(H,20,22)
InChIKeyABCHFBFVMUALCJ-UHFFFAOYSA-N
XLogP1.46
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122092513
N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
CID 154765435
(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 97271544
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
N-methyl-1-[1-(4-oxo-3H-phthalazine-1-carbonyl)piperidin-3-yl]methanesulfonamide
CID 166247377
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 127931930
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 138028277
ethyl N-[3-[(3-ethylpiperidine-1-carbonyl)amino]-2-methylphenyl]carbamate
CID 87044646
(3R)-N-(2-fluorophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139041
(3R)-3-[(4-cyclopropyltriazol-1-yl)methyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 31017640

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide (CID 167923654) is N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide is CNS(=O)(=O)CC1CCCN(C(=O)Nc2cnc(C)nc2C2CC2)C1.
What is the InChIKey of N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide?
The InChIKey is ABCHFBFVMUALCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-11-18-8-14(15(19-11)13-5-6-13)20-16(22)21-7-3-4-12(9-21)10-25(23,24)17-2/h8,12-13,17H,3-7,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide?
N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide has a molecular weight of 367.48 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-2-methylpyrimidin-5-yl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 167923654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).