(1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine

C11H20N4O2S — CID 124553890

IUPAC(1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine
SMILESC[C@H](N)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C11H20N4O2S/c1-9(12)10-4-3-5-15(7-10)18(16,17)11-6-13-14(2)8-11/h6,8-10H,3-5,7,12H2,1-2H3/t9-,10-/m0/s1
InChIKeyJCVQFTKZKFQDTJ-UWVGGRQHSA-N
MW272.37 g/mol
LogP0.17
Rot. Bonds3

About (1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine

(1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine (PubChem CID 124553890) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is (1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine
PubChem CID124553890
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name(1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine
SMILESC[C@H](N)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C11H20N4O2S/c1-9(12)10-4-3-5-15(7-10)18(16,17)11-6-13-14(2)8-11/h6,8-10H,3-5,7,12H2,1-2H3/t9-,10-/m0/s1
InChIKeyJCVQFTKZKFQDTJ-UWVGGRQHSA-N
XLogP0.17
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63853842
N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
CID 63853142
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984215
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
(1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124684747
1-[1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984263
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119984390
1-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 86813045
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119984385
2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 55105621

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine?
The IUPAC name of (1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine (CID 124553890) is (1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine.
What is the SMILES notation for (1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine?
The canonical SMILES for (1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine is C[C@H](N)[C@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1.
What is the InChIKey of (1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine?
The InChIKey is JCVQFTKZKFQDTJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9(12)10-4-3-5-15(7-10)18(16,17)11-6-13-14(2)8-11/h6,8-10H,3-5,7,12H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine?
(1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine has a molecular weight of 272.37 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine is sourced from PubChem (CID 124553890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).