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

C15H30N2O2S — CID 63877943

IUPACN-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H30N2O2S/c1-13(2)16-12-14-8-10-17(11-9-14)20(18,19)15-6-4-3-5-7-15/h13-16H,3-12H2,1-2H3
InChIKeyCQYSGCNNXCMPPB-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.36
Rot. Bonds5

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

N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine (PubChem CID 63877943) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine
PubChem CID63877943
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCN(S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H30N2O2S/c1-13(2)16-12-14-8-10-17(11-9-14)20(18,19)15-6-4-3-5-7-15/h13-16H,3-12H2,1-2H3
InChIKeyCQYSGCNNXCMPPB-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine (CID 63877943) is N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine is CC(C)NCC1CCN(S(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
The InChIKey is CQYSGCNNXCMPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-13(2)16-12-14-8-10-17(11-9-14)20(18,19)15-6-4-3-5-7-15/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]propan-2-amine has a molecular weight of 302.48 g/mol, XLogP of 2.36, 5 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]propan-2-amine is sourced from PubChem (CID 63877943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).