(3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine

C11H18N4O2S — CID 164629371

IUPAC(3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine
SMILESCC1(S(=O)(=O)N2CCC[C@H](c3cn[nH]n3)C2)CC1
InChIInChI=1S/C11H18N4O2S/c1-11(4-5-11)18(16,17)15-6-2-3-9(8-15)10-7-12-14-13-10/h7,9H,2-6,8H2,1H3,(H,12,13,14)/t9-/m0/s1
InChIKeyIXRPQNYSVHARJJ-VIFPVBQESA-N
MW270.36 g/mol
LogP0.87
Rot. Bonds3

About (3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine

(3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine (PubChem CID 164629371) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is (3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine
PubChem CID164629371
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name(3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine
SMILESCC1(S(=O)(=O)N2CCC[C@H](c3cn[nH]n3)C2)CC1
InChIInChI=1S/C11H18N4O2S/c1-11(4-5-11)18(16,17)15-6-2-3-9(8-15)10-7-12-14-13-10/h7,9H,2-6,8H2,1H3,(H,12,13,14)/t9-/m0/s1
InChIKeyIXRPQNYSVHARJJ-VIFPVBQESA-N
XLogP0.87
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine?
The IUPAC name of (3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine (CID 164629371) is (3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine.
What is the SMILES notation for (3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine?
The canonical SMILES for (3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine is CC1(S(=O)(=O)N2CCC[C@H](c3cn[nH]n3)C2)CC1.
What is the InChIKey of (3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine?
The InChIKey is IXRPQNYSVHARJJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-11(4-5-11)18(16,17)15-6-2-3-9(8-15)10-7-12-14-13-10/h7,9H,2-6,8H2,1H3,(H,12,13,14)/t9-/m0/s1.
What are the key properties of (3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine?
(3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine has a molecular weight of 270.36 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methylcyclopropyl)sulfonyl-3-(2H-triazol-4-yl)piperidine is sourced from PubChem (CID 164629371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).