(3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

C14H22N4O2S — CID 175980942

IUPAC(3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCn1nc(C2CC2)cc1S(=O)(=O)N1C[C@H]2CC(N)C[C@H]2C1
InChIInChI=1S/C14H22N4O2S/c1-17-14(6-13(16-17)9-2-3-9)21(19,20)18-7-10-4-12(15)5-11(10)8-18/h6,9-12H,2-5,7-8,15H2,1H3/t10-,11+,12?
InChIKeyYHOPECYFMREAPL-FOSCPWQOSA-N
MW310.42 g/mol
LogP0.66
Rot. Bonds3

About (3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

(3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 175980942) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name(3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
PubChem CID175980942
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name(3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCn1nc(C2CC2)cc1S(=O)(=O)N1C[C@H]2CC(N)C[C@H]2C1
InChIInChI=1S/C14H22N4O2S/c1-17-14(6-13(16-17)9-2-3-9)21(19,20)18-7-10-4-12(15)5-11(10)8-18/h6,9-12H,2-5,7-8,15H2,1H3/t10-,11+,12?
InChIKeyYHOPECYFMREAPL-FOSCPWQOSA-N
XLogP0.66
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,3aS,5S,6aS)-3-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-2-(oxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 170731414
7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine
CID 169143924
(4aR,7aS)-4-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-2,3,4a,5,7,7a-hexahydrofuro[3,4-b][1,4]oxazine
CID 166259306
8-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 136569953
tert-butyl 4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonylmethyl]piperidine-1-carboxylate;ethane
CID 145127359
(3-cyclopropyl-1-methylpyrazol-5-yl)carbamic acid
CID 69157729
(3aR,7aS)-2-(1-methylpyrrol-3-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 43598589
3-[(1S,6S)-3-bicyclo[4.1.0]heptanyl]-1-methylpyrazol-5-amine
CID 178191038
(3aR,7aS)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 61142846
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N-methylethanesulfonamide
CID 98129330
3-cyclopropyl-N,1-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-5-sulfonamide
CID 155955079
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 133054193

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of (3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 175980942) is (3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for (3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for (3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is Cn1nc(C2CC2)cc1S(=O)(=O)N1C[C@H]2CC(N)C[C@H]2C1.
What is the InChIKey of (3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is YHOPECYFMREAPL-FOSCPWQOSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-17-14(6-13(16-17)9-2-3-9)21(19,20)18-7-10-4-12(15)5-11(10)8-18/h6,9-12H,2-5,7-8,15H2,1H3/t10-,11+,12?.
What are the key properties of (3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
(3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 310.42 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 175980942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).