N-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide

C16H28N2O3S — CID 57391643

IUPACN-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C16H28N2O3S/c19-16(17-14-5-3-1-2-4-6-14)13-9-11-18(12-10-13)22(20,21)15-7-8-15/h13-15H,1-12H2,(H,17,19)
InChIKeyGUENWWKVULCBSC-UHFFFAOYSA-N
MW328.48 g/mol
LogP2.03
Rot. Bonds4

About N-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide (PubChem CID 57391643) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide
PubChem CID57391643
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC NameN-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C16H28N2O3S/c19-16(17-14-5-3-1-2-4-6-14)13-9-11-18(12-10-13)22(20,21)15-7-8-15/h13-15H,1-12H2,(H,17,19)
InChIKeyGUENWWKVULCBSC-UHFFFAOYSA-N
XLogP2.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide (CID 57391643) is N-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of N-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide?
The InChIKey is GUENWWKVULCBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c19-16(17-14-5-3-1-2-4-6-14)13-9-11-18(12-10-13)22(20,21)15-7-8-15/h13-15H,1-12H2,(H,17,19).
What are the key properties of N-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-cyclopropylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 57391643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).