1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine

C16H30N2O2S — CID 124828826

IUPAC1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C16H30N2O2S/c1-12-4-3-5-16(13(12)2)17-14-8-10-18(11-9-14)21(19,20)15-6-7-15/h12-17H,3-11H2,1-2H3/t12-,13+,16-/m1/s1
InChIKeyRRHZACOTQPQRMH-DVOMOZLQSA-N
MW314.50 g/mol
LogP2.36
Rot. Bonds4

About 1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine

1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine (PubChem CID 124828826) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine
PubChem CID124828826
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Name1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C16H30N2O2S/c1-12-4-3-5-16(13(12)2)17-14-8-10-18(11-9-14)21(19,20)15-6-7-15/h12-17H,3-11H2,1-2H3/t12-,13+,16-/m1/s1
InChIKeyRRHZACOTQPQRMH-DVOMOZLQSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine (CID 124828826) is 1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine is C[C@H]1[C@H](C)CCC[C@H]1NC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine?
The InChIKey is RRHZACOTQPQRMH-DVOMOZLQSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-12-4-3-5-16(13(12)2)17-14-8-10-18(11-9-14)21(19,20)15-6-7-15/h12-17H,3-11H2,1-2H3/t12-,13+,16-/m1/s1.
What are the key properties of 1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine?
1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine has a molecular weight of 314.50 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]piperidin-4-amine is sourced from PubChem (CID 124828826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).