2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol

C16H32N2O3S — CID 84595718

IUPAC2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol
SMILESCC(C)N(CC1CCCN(S(C)(=O)=O)C1)C1CCCCC1O
InChIInChI=1S/C16H32N2O3S/c1-13(2)18(15-8-4-5-9-16(15)19)12-14-7-6-10-17(11-14)22(3,20)21/h13-16,19H,4-12H2,1-3H3
InChIKeyIRYVKQPJWVWHGZ-UHFFFAOYSA-N
MW332.51 g/mol
LogP1.67
Rot. Bonds5

About 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol

2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol (PubChem CID 84595718) has the molecular formula C16H32N2O3S and a molecular weight of 332.51 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol
PubChem CID84595718
Molecular FormulaC16H32N2O3S
Molecular Weight332.51 g/mol
Exact Mass332.21
IUPAC Name2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol
SMILESCC(C)N(CC1CCCN(S(C)(=O)=O)C1)C1CCCCC1O
InChIInChI=1S/C16H32N2O3S/c1-13(2)18(15-8-4-5-9-16(15)19)12-14-7-6-10-17(11-14)22(3,20)21/h13-16,19H,4-12H2,1-3H3
InChIKeyIRYVKQPJWVWHGZ-UHFFFAOYSA-N
XLogP1.67
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol (CID 84595718) is 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol is CC(C)N(CC1CCCN(S(C)(=O)=O)C1)C1CCCCC1O.
What is the InChIKey of 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol?
The InChIKey is IRYVKQPJWVWHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3S/c1-13(2)18(15-8-4-5-9-16(15)19)12-14-7-6-10-17(11-14)22(3,20)21/h13-16,19H,4-12H2,1-3H3.
What are the key properties of 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol?
2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol has a molecular weight of 332.51 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylpiperidin-3-yl)methyl-propan-2-ylamino]cyclohexan-1-ol is sourced from PubChem (CID 84595718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).