N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine

C16H32N2O2S — CID 63879103

IUPACN-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H32N2O2S/c1-14(2)12-17-13-15-8-10-18(11-9-15)21(19,20)16-6-4-3-5-7-16/h14-17H,3-13H2,1-2H3
InChIKeyFRMNUWPOLAMYAF-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.61
Rot. Bonds6

About N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine

N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine (PubChem CID 63879103) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
PubChem CID63879103
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC NameN-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C16H32N2O2S/c1-14(2)12-17-13-15-8-10-18(11-9-15)21(19,20)16-6-4-3-5-7-16/h14-17H,3-13H2,1-2H3
InChIKeyFRMNUWPOLAMYAF-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine
CID 63878573
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63877943
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878751
N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878575
4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
CID 114813088
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990642
2-methyl-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-1-amine
CID 63878590
2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879798
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol
CID 55257021
3-[(2-methylpropylamino)methyl]-N-propan-2-ylpiperidine-1-sulfonamide
CID 114813108
(1-cyclohexylsulfonylpyrrolidin-3-yl)methanol
CID 62370983
1-(1-cyclopentylsulfonylpiperidin-4-yl)-N-ethylethanamine
CID 105360397

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine (CID 63879103) is N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCN(S(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is FRMNUWPOLAMYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-14(2)12-17-13-15-8-10-18(11-9-15)21(19,20)16-6-4-3-5-7-16/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine?
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 316.51 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63879103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).