4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide

C17H34N4O3S — CID 119729430

IUPAC4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1
InChIInChI=1S/C17H34N4O3S/c1-17(2,3)15(18)16(22)20-10-12-21(13-11-20)25(23,24)19(4)14-8-6-5-7-9-14/h14-15H,5-13,18H2,1-4H3/t15-/m1/s1
InChIKeyJCKYHMYULMVKLN-OAHLLOKOSA-N
MW374.55 g/mol
LogP1.01
Rot. Bonds4

About 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide

4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide (PubChem CID 119729430) has the molecular formula C17H34N4O3S and a molecular weight of 374.55 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
PubChem CID119729430
Molecular FormulaC17H34N4O3S
Molecular Weight374.55 g/mol
Exact Mass374.24
IUPAC Name4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1
InChIInChI=1S/C17H34N4O3S/c1-17(2,3)15(18)16(22)20-10-12-21(13-11-20)25(23,24)19(4)14-8-6-5-7-9-14/h14-15H,5-13,18H2,1-4H3/t15-/m1/s1
InChIKeyJCKYHMYULMVKLN-OAHLLOKOSA-N
XLogP1.01
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
The IUPAC name of 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide (CID 119729430) is 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1.
What is the InChIKey of 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
The InChIKey is JCKYHMYULMVKLN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H34N4O3S/c1-17(2,3)15(18)16(22)20-10-12-21(13-11-20)25(23,24)19(4)14-8-6-5-7-9-14/h14-15H,5-13,18H2,1-4H3/t15-/m1/s1.
What are the key properties of 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide has a molecular weight of 374.55 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 119729430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).