(3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride

C8H15ClN4O2S — CID 119999942

IUPAC(3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride
SMILESCc1[nH]ncc1S(=O)(=O)N1CC[C@H](N)C1.Cl
InChIInChI=1S/C8H14N4O2S.ClH/c1-6-8(4-10-11-6)15(13,14)12-3-2-7(9)5-12;/h4,7H,2-3,5,9H2,1H3,(H,10,11);1H/t7-;/m0./s1
InChIKeyQQSACLRTHQIBQM-FJXQXJEOSA-N
MW266.75 g/mol
LogP-0.14
Rot. Bonds2

About (3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride

(3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119999942) has the molecular formula C8H15ClN4O2S and a molecular weight of 266.75 g/mol. Its IUPAC name is (3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119999942
Molecular FormulaC8H15ClN4O2S
Molecular Weight266.75 g/mol
Exact Mass266.06
IUPAC Name(3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride
SMILESCc1[nH]ncc1S(=O)(=O)N1CC[C@H](N)C1.Cl
InChIInChI=1S/C8H14N4O2S.ClH/c1-6-8(4-10-11-6)15(13,14)12-3-2-7(9)5-12;/h4,7H,2-3,5,9H2,1H3,(H,10,11);1H/t7-;/m0./s1
InChIKeyQQSACLRTHQIBQM-FJXQXJEOSA-N
XLogP-0.14
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride with MolForge

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Related Compounds

1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 62068447
4-[3-(chloromethyl)pyrrolidin-1-yl]sulfonyl-5-methyl-1H-pyrazole
CID 63400848
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol
CID 62916778
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine
CID 63174913
N,N-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 63174779
(3aR,7aS)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 61142846
(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 104975074
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane
CID 54929965
4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 103576385
1-ethyl-2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 63616216
4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine
CID 60910836
[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanol
CID 81208839

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride (CID 119999942) is (3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride is Cc1[nH]ncc1S(=O)(=O)N1CC[C@H](N)C1.Cl.
What is the InChIKey of (3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is QQSACLRTHQIBQM-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H14N4O2S.ClH/c1-6-8(4-10-11-6)15(13,14)12-3-2-7(9)5-12;/h4,7H,2-3,5,9H2,1H3,(H,10,11);1H/t7-;/m0./s1.
What are the key properties of (3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride?
(3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 266.75 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119999942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).