cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid

C10H15N3O4S — CID 106321626

IUPACcis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCn1cc(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cn1
InChIInChI=1S/C10H15N3O4S/c1-13-6-9(5-11-13)18(16,17)12-8-3-2-7(4-8)10(14)15/h5-8,12H,2-4H2,1H3,(H,14,15)/t7-,8+/m1/s1
InChIKeyCHOHPNVEIYHYJP-SFYZADRCSA-N
MW273.31 g/mol
LogP-0.05
Rot. Bonds4

About cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 106321626) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID106321626
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Namecis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCn1cc(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cn1
InChIInChI=1S/C10H15N3O4S/c1-13-6-9(5-11-13)18(16,17)12-8-3-2-7(4-8)10(14)15/h5-8,12H,2-4H2,1H3,(H,14,15)/t7-,8+/m1/s1
InChIKeyCHOHPNVEIYHYJP-SFYZADRCSA-N
XLogP-0.05
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 120394244
4-[[1-(2,2-Difluoroethyl)pyrazol-4-yl]sulfonylamino]cyclohexane-1-carboxylic acid
CID 120404038
cis-(1S,3R)-3-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]cyclopentane-1-carboxylic acid
CID 139013700
4-Methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 43172812
3-Methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 43172838
6-[(1-Methylpyrazol-4-yl)sulfonylamino]hexanoic acid
CID 43361184
1-[(1-Methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361608
2-[(1-Methylpyrazol-4-yl)sulfonylamino]hexanoic acid
CID 43470084
4-[(1-Methylpyrazol-4-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 54921337
2-[1-(1-Methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 55105621
2-Cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 61015172
(2S,3S)-3-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 61136551

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 106321626) is cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid is Cn1cc(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cn1.
What is the InChIKey of cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is CHOHPNVEIYHYJP-SFYZADRCSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-13-6-9(5-11-13)18(16,17)12-8-3-2-7(4-8)10(14)15/h5-8,12H,2-4H2,1H3,(H,14,15)/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(1-methylpyrazol-4-yl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).