N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylpyrazole-4-sulfonamide

C13H22N4O4S2 — CID 71806875

IUPACN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)cn1
InChIInChI=1S/C13H22N4O4S2/c1-16-10-13(9-14-16)22(18,19)15-8-11-4-6-17(7-5-11)23(20,21)12-2-3-12/h9-12,15H,2-8H2,1H3
InChIKeyYYUGJMFDOOLULJ-UHFFFAOYSA-N
MW362.48 g/mol
LogP-0.10
Rot. Bonds6

About N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylpyrazole-4-sulfonamide

N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 71806875) has the molecular formula C13H22N4O4S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID71806875
Molecular FormulaC13H22N4O4S2
Molecular Weight362.48 g/mol
Exact Mass362.11
IUPAC NameN-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)cn1
InChIInChI=1S/C13H22N4O4S2/c1-16-10-13(9-14-16)22(18,19)15-8-11-4-6-17(7-5-11)23(20,21)12-2-3-12/h9-12,15H,2-8H2,1H3
InChIKeyYYUGJMFDOOLULJ-UHFFFAOYSA-N
XLogP-0.10
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
CID 25247408
1-((1-methyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine hydrochloride
CID 53536972
3-Ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
CID 47034904
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-ethylpyrazole-4-sulfonamide
CID 56894259
methyl 4-[(1-methyl-1H-pyrazole-4-sulfonamido)methyl]piperidine-1-carboxylate
CID 71806813
(3R*,4S*)-4-cyclopropyl-1-[(1-propyl-1H-pyrazol-4-yl)sulfonyl]-3-pyrrolidinamine
CID 72903968
Butyl[(1-ethylpyrazol-4-yl)sulfonyl]amine
CID 6466889
1-[[1-(1-Ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 50848240
N-(cyclohexylmethyl)-1-ethyl-1H-pyrazole-4-sulfonamide
CID 6470748
1-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
CID 28731287
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 43598152
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-ethylpyrazole-4-sulfonamide
CID 71997776

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylpyrazole-4-sulfonamide (CID 71806875) is N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC2CCN(S(=O)(=O)C3CC3)CC2)cn1.
What is the InChIKey of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is YYUGJMFDOOLULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S2/c1-16-10-13(9-14-16)22(18,19)15-8-11-4-6-17(7-5-11)23(20,21)12-2-3-12/h9-12,15H,2-8H2,1H3.
What are the key properties of N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of -0.10, 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-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 71806875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).