4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide

C17H34N4O3S — CID 119729438

IUPAC4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
SMILESCCC(C)C(N)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C17H34N4O3S/c1-4-14(2)16(18)17(22)20-10-12-21(13-11-20)25(23,24)19(3)15-8-6-5-7-9-15/h14-16H,4-13,18H2,1-3H3
InChIKeyBZHABAMDQLEOAA-UHFFFAOYSA-N
MW374.55 g/mol
LogP1.01
Rot. Bonds6

About 4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide

4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide (PubChem CID 119729438) has the molecular formula C17H34N4O3S and a molecular weight of 374.55 g/mol. Its IUPAC name is 4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
PubChem CID119729438
Molecular FormulaC17H34N4O3S
Molecular Weight374.55 g/mol
Exact Mass374.24
IUPAC Name4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
SMILESCCC(C)C(N)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C17H34N4O3S/c1-4-14(2)16(18)17(22)20-10-12-21(13-11-20)25(23,24)19(3)15-8-6-5-7-9-15/h14-16H,4-13,18H2,1-3H3
InChIKeyBZHABAMDQLEOAA-UHFFFAOYSA-N
XLogP1.01
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
The IUPAC name of 4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide (CID 119729438) is 4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide is CCC(C)C(N)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of 4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
The InChIKey is BZHABAMDQLEOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O3S/c1-4-14(2)16(18)17(22)20-10-12-21(13-11-20)25(23,24)19(3)15-8-6-5-7-9-15/h14-16H,4-13,18H2,1-3H3.
What are the key properties of 4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide has a molecular weight of 374.55 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-methylpentanoyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 119729438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).