N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide

C12H22N4O3S — CID 122564480

IUPACN-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2(O)CCCNC2)cn1
InChIInChI=1S/C12H22N4O3S/c1-2-6-16-8-11(7-14-16)20(18,19)15-10-12(17)4-3-5-13-9-12/h7-8,13,15,17H,2-6,9-10H2,1H3
InChIKeyVPYGPDPXSIMEJY-UHFFFAOYSA-N
MW302.40 g/mol
LogP-0.31
Rot. Bonds6

About N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide

N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide (PubChem CID 122564480) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
PubChem CID122564480
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC2(O)CCCNC2)cn1
InChIInChI=1S/C12H22N4O3S/c1-2-6-16-8-11(7-14-16)20(18,19)15-10-12(17)4-3-5-13-9-12/h7-8,13,15,17H,2-6,9-10H2,1H3
InChIKeyVPYGPDPXSIMEJY-UHFFFAOYSA-N
XLogP-0.31
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-difluoro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440671
1-(2-hydroxyethyl)-N-[(1-methylsulfanylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 106001861
N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide
CID 124756680
3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125443896
1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea
CID 118771640
N-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 114760112
1-[2-(ethylamino)ethyl]-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazole-4-sulfonamide
CID 106090606
(3-ethylpiperidin-3-yl)-(1-propylpyrazol-4-yl)methanone
CID 116568468
methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]pyrazol-1-yl]acetate;hydrochloride
CID 120896266
N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122572400
2-(1-propylpyrazol-4-yl)sulfonyl-2,8-diazaspiro[4.5]decane;hydrochloride
CID 154906899
N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 131919365

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide (CID 122564480) is N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCC2(O)CCCNC2)cn1.
What is the InChIKey of N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is VPYGPDPXSIMEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-2-6-16-8-11(7-14-16)20(18,19)15-10-12(17)4-3-5-13-9-12/h7-8,13,15,17H,2-6,9-10H2,1H3.
What are the key properties of N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide?
N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 122564480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).