4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride

C16H33ClN4O3S — CID 120560520

IUPAC4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride
SMILESCC(N)CCC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1.Cl
InChIInChI=1S/C16H32N4O3S.ClH/c1-14(17)8-9-16(21)19-10-12-20(13-11-19)24(22,23)18(2)15-6-4-3-5-7-15;/h14-15H,3-13,17H2,1-2H3;1H
InChIKeyYXOGBLCVUNJDKG-UHFFFAOYSA-N
MW396.99 g/mol
LogP1.19
Rot. Bonds6

About 4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride

4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride (PubChem CID 120560520) has the molecular formula C16H33ClN4O3S and a molecular weight of 396.99 g/mol. Its IUPAC name is 4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride
PubChem CID120560520
Molecular FormulaC16H33ClN4O3S
Molecular Weight396.99 g/mol
Exact Mass396.20
IUPAC Name4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride
SMILESCC(N)CCC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1.Cl
InChIInChI=1S/C16H32N4O3S.ClH/c1-14(17)8-9-16(21)19-10-12-20(13-11-19)24(22,23)18(2)15-6-4-3-5-7-15;/h14-15H,3-13,17H2,1-2H3;1H
InChIKeyYXOGBLCVUNJDKG-UHFFFAOYSA-N
XLogP1.19
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.99
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride?
The IUPAC name of 4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride (CID 120560520) is 4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride.
What is the SMILES notation for 4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride?
The canonical SMILES for 4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride is CC(N)CCC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1.Cl.
What is the InChIKey of 4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride?
The InChIKey is YXOGBLCVUNJDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O3S.ClH/c1-14(17)8-9-16(21)19-10-12-20(13-11-19)24(22,23)18(2)15-6-4-3-5-7-15;/h14-15H,3-13,17H2,1-2H3;1H.
What are the key properties of 4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride?
4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride has a molecular weight of 396.99 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120560520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).