N-cycloheptyl-3-thiophen-2-ylsulfonylpropanamide

C14H21NO3S2 — CID 3239248

IUPACN-cycloheptyl-3-thiophen-2-ylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1cccs1)NC1CCCCCC1
InChIInChI=1S/C14H21NO3S2/c16-13(15-12-6-3-1-2-4-7-12)9-11-20(17,18)14-8-5-10-19-14/h5,8,10,12H,1-4,6-7,9,11H2,(H,15,16)
InChIKeyHLZQEYPUHRWEAB-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.75
Rot. Bonds5

About N-cycloheptyl-3-thiophen-2-ylsulfonylpropanamide

N-cycloheptyl-3-thiophen-2-ylsulfonylpropanamide (PubChem CID 3239248) has the molecular formula C14H21NO3S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-cycloheptyl-3-thiophen-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-thiophen-2-ylsulfonylpropanamide
PubChem CID3239248
Molecular FormulaC14H21NO3S2
Molecular Weight315.46 g/mol
Exact Mass315.10
IUPAC NameN-cycloheptyl-3-thiophen-2-ylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1cccs1)NC1CCCCCC1
InChIInChI=1S/C14H21NO3S2/c16-13(15-12-6-3-1-2-4-7-12)9-11-20(17,18)14-8-5-10-19-14/h5,8,10,12H,1-4,6-7,9,11H2,(H,15,16)
InChIKeyHLZQEYPUHRWEAB-UHFFFAOYSA-N
XLogP2.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-thiophen-2-ylsulfonylpropanamide?
The IUPAC name of N-cycloheptyl-3-thiophen-2-ylsulfonylpropanamide (CID 3239248) is N-cycloheptyl-3-thiophen-2-ylsulfonylpropanamide.
What is the SMILES notation for N-cycloheptyl-3-thiophen-2-ylsulfonylpropanamide?
The canonical SMILES for N-cycloheptyl-3-thiophen-2-ylsulfonylpropanamide is O=C(CCS(=O)(=O)c1cccs1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-thiophen-2-ylsulfonylpropanamide?
The InChIKey is HLZQEYPUHRWEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S2/c16-13(15-12-6-3-1-2-4-7-12)9-11-20(17,18)14-8-5-10-19-14/h5,8,10,12H,1-4,6-7,9,11H2,(H,15,16).
What are the key properties of N-cycloheptyl-3-thiophen-2-ylsulfonylpropanamide?
N-cycloheptyl-3-thiophen-2-ylsulfonylpropanamide has a molecular weight of 315.46 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-thiophen-2-ylsulfonylpropanamide is sourced from PubChem (CID 3239248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).