(2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine

C10H17ClN4O2S — CID 124692062

IUPAC(2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine
SMILESC[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1cn(C)c(Cl)n1
InChIInChI=1S/C10H17ClN4O2S/c1-7-5-8(12)3-4-15(7)18(16,17)9-6-14(2)10(11)13-9/h6-8H,3-5,12H2,1-2H3/t7-,8+/m1/s1
InChIKeySQKUTOKAQRDMCQ-SFYZADRCSA-N
MW292.79 g/mol
LogP0.57
Rot. Bonds2

About (2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine

(2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine (PubChem CID 124692062) has the molecular formula C10H17ClN4O2S and a molecular weight of 292.79 g/mol. Its IUPAC name is (2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name(2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine
PubChem CID124692062
Molecular FormulaC10H17ClN4O2S
Molecular Weight292.79 g/mol
Exact Mass292.08
IUPAC Name(2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine
SMILESC[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1cn(C)c(Cl)n1
InChIInChI=1S/C10H17ClN4O2S/c1-7-5-8(12)3-4-15(7)18(16,17)9-6-14(2)10(11)13-9/h6-8H,3-5,12H2,1-2H3/t7-,8+/m1/s1
InChIKeySQKUTOKAQRDMCQ-SFYZADRCSA-N
XLogP0.57
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine?
The IUPAC name of (2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine (CID 124692062) is (2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine.
What is the SMILES notation for (2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine?
The canonical SMILES for (2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine is C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1cn(C)c(Cl)n1.
What is the InChIKey of (2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine?
The InChIKey is SQKUTOKAQRDMCQ-SFYZADRCSA-N. The full InChI is InChI=1S/C10H17ClN4O2S/c1-7-5-8(12)3-4-15(7)18(16,17)9-6-14(2)10(11)13-9/h6-8H,3-5,12H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine?
(2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine has a molecular weight of 292.79 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-(2-chloro-1-methylimidazol-4-yl)sulfonyl-2-methylpiperidin-4-amine is sourced from PubChem (CID 124692062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).