[1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate

C13H15N3O4S — CID 175545584

IUPAC[1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(OC(N)=O)CC2)cc1
InChIInChI=1S/C13H15N3O4S/c14-9-10-1-3-12(4-2-10)21(18,19)16-7-5-11(6-8-16)20-13(15)17/h1-4,11H,5-8H2,(H2,15,17)
InChIKeyJNZZRMFWLRPAJK-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.81
Rot. Bonds3

About [1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate

[1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate (PubChem CID 175545584) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is [1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate
PubChem CID175545584
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name[1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate
SMILESN#Cc1ccc(S(=O)(=O)N2CCC(OC(N)=O)CC2)cc1
InChIInChI=1S/C13H15N3O4S/c14-9-10-1-3-12(4-2-10)21(18,19)16-7-5-11(6-8-16)20-13(15)17/h1-4,11H,5-8H2,(H2,15,17)
InChIKeyJNZZRMFWLRPAJK-UHFFFAOYSA-N
XLogP0.81
TPSA113.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]acetic acid
CID 78979719
1-(4-cyanophenyl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 33456378
4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47065260
1-(4-cyanophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 26273466
tert-butyl N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-N-methylcarbamate
CID 70117212
1-(4-cyanophenyl)-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxyurea
CID 87275486
4-[(3S,4S)-4-(dimethylamino)-3-hydroxypiperidin-1-yl]sulfonylbenzonitrile
CID 131902475
2-(4-cyanophenoxy)ethyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 41151127
4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 118308396
4-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylphenyl]benzonitrile
CID 143369390
4-(3-pyridazin-3-yloxypyrrolidin-1-yl)sulfonylbenzonitrile
CID 91627303
4-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100630089

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate?
The IUPAC name of [1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate (CID 175545584) is [1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate.
What is the SMILES notation for [1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate?
The canonical SMILES for [1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate is N#Cc1ccc(S(=O)(=O)N2CCC(OC(N)=O)CC2)cc1.
What is the InChIKey of [1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate?
The InChIKey is JNZZRMFWLRPAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c14-9-10-1-3-12(4-2-10)21(18,19)16-7-5-11(6-8-16)20-13(15)17/h1-4,11H,5-8H2,(H2,15,17).
What are the key properties of [1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate?
[1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate has a molecular weight of 309.35 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyanophenyl)sulfonylpiperidin-4-yl] carbamate is sourced from PubChem (CID 175545584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).