N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide

C16H30N2O3S — CID 57393386

IUPACN-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C16H30N2O3S/c1-13(2)22(20,21)18-11-9-14(10-12-18)16(19)17-15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyDUPPYVOKYGQCLR-UHFFFAOYSA-N
MW330.49 g/mol
LogP2.28
Rot. Bonds4

About N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 57393386) has the molecular formula C16H30N2O3S and a molecular weight of 330.49 g/mol. Its IUPAC name is N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID57393386
Molecular FormulaC16H30N2O3S
Molecular Weight330.49 g/mol
Exact Mass330.20
IUPAC NameN-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC(C)S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C16H30N2O3S/c1-13(2)22(20,21)18-11-9-14(10-12-18)16(19)17-15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,17,19)
InChIKeyDUPPYVOKYGQCLR-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide (CID 57393386) is N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide is CC(C)S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is DUPPYVOKYGQCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S/c1-13(2)22(20,21)18-11-9-14(10-12-18)16(19)17-15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,17,19).
What are the key properties of N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 330.49 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 57393386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).