(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine

C7H12N4O2S — CID 102693661

IUPAC(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(S(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C7H12N4O2S/c8-6-2-4-11(5-6)14(12,13)7-1-3-9-10-7/h1,3,6H,2,4-5,8H2,(H,9,10)/t6-/m0/s1
InChIKeyNHCQCQYKEMFDGZ-LURJTMIESA-N
MW216.27 g/mol
LogP-0.87
Rot. Bonds2

About (3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine

(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine (PubChem CID 102693661) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is (3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine
PubChem CID102693661
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(S(=O)(=O)c2ccn[nH]2)C1
InChIInChI=1S/C7H12N4O2S/c8-6-2-4-11(5-6)14(12,13)7-1-3-9-10-7/h1,3,6H,2,4-5,8H2,(H,9,10)/t6-/m0/s1
InChIKeyNHCQCQYKEMFDGZ-LURJTMIESA-N
XLogP-0.87
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-ethylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
CID 102693338
3-(bromomethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693991
5-(1H-pyrazol-5-ylsulfonyl)-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 102690954
3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693933
4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102692305
N-ethyl-N-[[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]methyl]ethanamine
CID 102692300
N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine
CID 102690328
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 62068447
(3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride
CID 119999942
4-methylsulfanyl-1-(1H-pyrazol-5-ylsulfonyl)azepane
CID 114238088
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
ethyl (3S)-1-(1H-pyrazol-5-ylsulfonyl)piperidine-3-carboxylate
CID 102693712

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine (CID 102693661) is (3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine is N[C@H]1CCN(S(=O)(=O)c2ccn[nH]2)C1.
What is the InChIKey of (3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine?
The InChIKey is NHCQCQYKEMFDGZ-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N4O2S/c8-6-2-4-11(5-6)14(12,13)7-1-3-9-10-7/h1,3,6H,2,4-5,8H2,(H,9,10)/t6-/m0/s1.
What are the key properties of (3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine?
(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine has a molecular weight of 216.27 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine is sourced from PubChem (CID 102693661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).