(2S)-4-(3-cyclopentyl-1-methylpyrazol-4-yl)sulfonylmorpholine-2-carboxylic acid

C14H21N3O5S — CID 166387145

IUPAC(2S)-4-(3-cyclopentyl-1-methylpyrazol-4-yl)sulfonylmorpholine-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)c(C2CCCC2)n1
InChIInChI=1S/C14H21N3O5S/c1-16-9-12(13(15-16)10-4-2-3-5-10)23(20,21)17-6-7-22-11(8-17)14(18)19/h9-11H,2-8H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyMNMKYONQYMRLOT-NSHDSACASA-N
MW343.41 g/mol
LogP0.55
Rot. Bonds4

About (2S)-4-(3-cyclopentyl-1-methylpyrazol-4-yl)sulfonylmorpholine-2-carboxylic acid

(2S)-4-(3-cyclopentyl-1-methylpyrazol-4-yl)sulfonylmorpholine-2-carboxylic acid (PubChem CID 166387145) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is (2S)-4-(3-cyclopentyl-1-methylpyrazol-4-yl)sulfonylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(3-cyclopentyl-1-methylpyrazol-4-yl)sulfonylmorpholine-2-carboxylic acid
PubChem CID166387145
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Name(2S)-4-(3-cyclopentyl-1-methylpyrazol-4-yl)sulfonylmorpholine-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)c(C2CCCC2)n1
InChIInChI=1S/C14H21N3O5S/c1-16-9-12(13(15-16)10-4-2-3-5-10)23(20,21)17-6-7-22-11(8-17)14(18)19/h9-11H,2-8H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyMNMKYONQYMRLOT-NSHDSACASA-N
XLogP0.55
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-ethylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
CID 79372670
(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7017717
(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7026133
4-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97191248
[4-[(3-cyclopentyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 136568086
4-(4-cyano-2-methylphenyl)sulfonylmorpholine-2-carboxylic acid
CID 103862612
4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid
CID 65197311
4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 102810153
4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119239175
1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid
CID 3164934
4-(2,3-dihydro-1-benzofuran-7-ylsulfonyl)morpholine-2-carboxylic acid
CID 136548425
3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine
CID 125013873

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-cyclopentyl-1-methylpyrazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-(3-cyclopentyl-1-methylpyrazol-4-yl)sulfonylmorpholine-2-carboxylic acid (CID 166387145) is (2S)-4-(3-cyclopentyl-1-methylpyrazol-4-yl)sulfonylmorpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(3-cyclopentyl-1-methylpyrazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(3-cyclopentyl-1-methylpyrazol-4-yl)sulfonylmorpholine-2-carboxylic acid is Cn1cc(S(=O)(=O)N2CCO[C@H](C(=O)O)C2)c(C2CCCC2)n1.
What is the InChIKey of (2S)-4-(3-cyclopentyl-1-methylpyrazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
The InChIKey is MNMKYONQYMRLOT-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-16-9-12(13(15-16)10-4-2-3-5-10)23(20,21)17-6-7-22-11(8-17)14(18)19/h9-11H,2-8H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-4-(3-cyclopentyl-1-methylpyrazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
(2S)-4-(3-cyclopentyl-1-methylpyrazol-4-yl)sulfonylmorpholine-2-carboxylic acid has a molecular weight of 343.41 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-cyclopentyl-1-methylpyrazol-4-yl)sulfonylmorpholine-2-carboxylic acid is sourced from PubChem (CID 166387145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).