N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C15H26N4O4S2 — CID 71806316

IUPACN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C15H26N4O4S2/c1-11-15(12(2)18(3)17-11)24(20,21)16-10-13-6-8-19(9-7-13)25(22,23)14-4-5-14/h13-14,16H,4-10H2,1-3H3
InChIKeyANVISLBXIGKEPR-UHFFFAOYSA-N
MW390.53 g/mol
LogP0.52
Rot. Bonds6

About N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 71806316) has the molecular formula C15H26N4O4S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID71806316
Molecular FormulaC15H26N4O4S2
Molecular Weight390.53 g/mol
Exact Mass390.14
IUPAC NameN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C15H26N4O4S2/c1-11-15(12(2)18(3)17-11)24(20,21)16-10-13-6-8-19(9-7-13)25(22,23)14-4-5-14/h13-14,16H,4-10H2,1-3H3
InChIKeyANVISLBXIGKEPR-UHFFFAOYSA-N
XLogP0.52
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247407
1-[(1-methanesulfonyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine
CID 16300142
N-{(3S*,4R*)-4-isopropyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-3-pyrrolidinyl}methanesulfonamide
CID 70742820
N-(tert-butyl)-4-((1,3,5-trimethyl-1H-pyrazole-4-sulfonamido)methyl)piperidine-1-carboxamide
CID 71806278
N-methyl-2-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}sulfonyl)acetamide
CID 71809158
1-((1-(Difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperazine
CID 25247678
N-(1-amino-4-methylpentan-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 63766393
1-(3,5-Diethyl-1-methylpyrazol-4-yl)sulfonylpiperidin-4-amine
CID 75449744
N-(2-aminopentyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 91646004
N-[(2S)-3,3-dimethylbutan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 92463493
N-[(1S)-1-cyclopropylethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 95349059
1-(1,3,5-Trimethylpyrazol-4-yl)sulfonylpiperidine
CID 7452641

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 71806316) is N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is ANVISLBXIGKEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4S2/c1-11-15(12(2)18(3)17-11)24(20,21)16-10-13-6-8-19(9-7-13)25(22,23)14-4-5-14/h13-14,16H,4-10H2,1-3H3.
What are the key properties of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 390.53 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71806316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).