4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide

C14H29N3O2S — CID 170198339

IUPAC4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-2-8-15-20(18,19)17-11-9-16(10-12-17)13-14-6-4-3-5-7-14/h14-15H,2-13H2,1H3
InChIKeyFQHPBDYDICCRMV-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.43
Rot. Bonds6

About 4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide

4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide (PubChem CID 170198339) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide
PubChem CID170198339
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-2-8-15-20(18,19)17-11-9-16(10-12-17)13-14-6-4-3-5-7-14/h14-15H,2-13H2,1H3
InChIKeyFQHPBDYDICCRMV-UHFFFAOYSA-N
XLogP1.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide?
The IUPAC name of 4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide (CID 170198339) is 4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide is CCCNS(=O)(=O)N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide?
The InChIKey is FQHPBDYDICCRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-2-8-15-20(18,19)17-11-9-16(10-12-17)13-14-6-4-3-5-7-14/h14-15H,2-13H2,1H3.
What are the key properties of 4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide?
4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-N-propylpiperazine-1-sulfonamide is sourced from PubChem (CID 170198339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).