[(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate

C16H19N5O4S — CID 176902442

IUPAC[(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate
SMILESNC(=O)O[C@@H]1CC[C@H](c2cnc(Nc3ccc(S(N)(=O)=O)cc3)cn2)C1
InChIInChI=1S/C16H19N5O4S/c17-16(22)25-12-4-1-10(7-12)14-8-20-15(9-19-14)21-11-2-5-13(6-3-11)26(18,23)24/h2-3,5-6,8-10,12H,1,4,7H2,(H2,17,22)(H,20,21)(H2,18,23,24)/t10-,12+/m0/s1
InChIKeyNHAUOUPBYXSZQB-CMPLNLGQSA-N
MW377.43 g/mol
LogP1.60
Rot. Bonds5

About [(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate

[(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate (PubChem CID 176902442) has the molecular formula C16H19N5O4S and a molecular weight of 377.43 g/mol. Its IUPAC name is [(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate
PubChem CID176902442
Molecular FormulaC16H19N5O4S
Molecular Weight377.43 g/mol
Exact Mass377.12
IUPAC Name[(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate
SMILESNC(=O)O[C@@H]1CC[C@H](c2cnc(Nc3ccc(S(N)(=O)=O)cc3)cn2)C1
InChIInChI=1S/C16H19N5O4S/c17-16(22)25-12-4-1-10(7-12)14-8-20-15(9-19-14)21-11-2-5-13(6-3-11)26(18,23)24/h2-3,5-6,8-10,12H,1,4,7H2,(H2,17,22)(H,20,21)(H2,18,23,24)/t10-,12+/m0/s1
InChIKeyNHAUOUPBYXSZQB-CMPLNLGQSA-N
XLogP1.60
TPSA150.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[(1S,3R)-3-[5-[4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]anilino]pyrazin-2-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176902417
[3-[3-(4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176874944
[(1S,3R)-3-[2-(4-sulfamoylanilino)pyrimidin-5-yl]cyclopentyl] N-(4,4-difluorobutan-2-yl)carbamate
CID 171087464
[4-[6-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]pyrimidin-4-yl]cyclohexyl] carbamate
CID 175377588
[(1S,3R)-3-[2-(4-methylsulfonylanilino)pyrimidin-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 171087395
[(1S,3R)-3-[1-(4-sulfamoylanilino)pyrrolo[1,2-a]pyrazin-4-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate
CID 171087181
[3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076305
[(1R,3S)-3-[2-[4-(azetidin-3-ylsulfonyl)anilino]pyrimidin-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 171087379
4-[[5-[(1S,3R)-3-[(4-propan-2-yl-1,2-thiazol-3-yl)oxy]cyclopentyl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 171087544
[(1R,3S)-3-[2-[4-(propan-2-ylsulfamoyl)anilino]pyrimidin-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 171087188
6-anilinopyridine-3-sulfonamide
CID 154206301
[3-[3-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]anilino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176874997

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate?
The IUPAC name of [(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate (CID 176902442) is [(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate.
What is the SMILES notation for [(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate?
The canonical SMILES for [(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate is NC(=O)O[C@@H]1CC[C@H](c2cnc(Nc3ccc(S(N)(=O)=O)cc3)cn2)C1.
What is the InChIKey of [(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate?
The InChIKey is NHAUOUPBYXSZQB-CMPLNLGQSA-N. The full InChI is InChI=1S/C16H19N5O4S/c17-16(22)25-12-4-1-10(7-12)14-8-20-15(9-19-14)21-11-2-5-13(6-3-11)26(18,23)24/h2-3,5-6,8-10,12H,1,4,7H2,(H2,17,22)(H,20,21)(H2,18,23,24)/t10-,12+/m0/s1.
What are the key properties of [(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate?
[(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate has a molecular weight of 377.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[5-(4-sulfamoylanilino)pyrazin-2-yl]cyclopentyl] carbamate is sourced from PubChem (CID 176902442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).