N-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide

C17H32N2O3S — CID 57391642

IUPACN-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide
SMILESCC(C)CS(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C17H32N2O3S/c1-14(2)13-23(21,22)19-11-9-15(10-12-19)17(20)18-16-7-5-3-4-6-8-16/h14-16H,3-13H2,1-2H3,(H,18,20)
InChIKeyMPPYXAKRZNAIAD-UHFFFAOYSA-N
MW344.52 g/mol
LogP2.52
Rot. Bonds5

About N-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide

N-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide (PubChem CID 57391642) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is N-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide
PubChem CID57391642
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC NameN-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide
SMILESCC(C)CS(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C17H32N2O3S/c1-14(2)13-23(21,22)19-11-9-15(10-12-19)17(20)18-16-7-5-3-4-6-8-16/h14-16H,3-13H2,1-2H3,(H,18,20)
InChIKeyMPPYXAKRZNAIAD-UHFFFAOYSA-N
XLogP2.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide (CID 57391642) is N-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide is CC(C)CS(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide?
The InChIKey is MPPYXAKRZNAIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-14(2)13-23(21,22)19-11-9-15(10-12-19)17(20)18-16-7-5-3-4-6-8-16/h14-16H,3-13H2,1-2H3,(H,18,20).
What are the key properties of N-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide?
N-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide has a molecular weight of 344.52 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2-methylpropylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 57391642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).