(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide

C16H30N4O6S2 — CID 7164968

IUPAC(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide
SMILESCS(=O)(=O)N1CCN(S(C)(=O)=O)[C@@H](C(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1
InChIInChI=1S/C16H30N4O6S2/c1-27(23,24)19-8-9-20(28(2,25)26)14(11-19)16(22)18-13(15(17)21)10-12-6-4-3-5-7-12/h12-14H,3-11H2,1-2H3,(H2,17,21)(H,18,22)/t13-,14+/m0/s1
InChIKeyZFXXNMZRJUIPOT-UONOGXRCSA-N
MW438.57 g/mol
LogP-1.17
Rot. Bonds7

About (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide

(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide (PubChem CID 7164968) has the molecular formula C16H30N4O6S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide
PubChem CID7164968
Molecular FormulaC16H30N4O6S2
Molecular Weight438.57 g/mol
Exact Mass438.16
IUPAC Name(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide
SMILESCS(=O)(=O)N1CCN(S(C)(=O)=O)[C@@H](C(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1
InChIInChI=1S/C16H30N4O6S2/c1-27(23,24)19-8-9-20(28(2,25)26)14(11-19)16(22)18-13(15(17)21)10-12-6-4-3-5-7-12/h12-14H,3-11H2,1-2H3,(H2,17,21)(H,18,22)/t13-,14+/m0/s1
InChIKeyZFXXNMZRJUIPOT-UONOGXRCSA-N
XLogP-1.17
TPSA146.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide (CID 7164968) is (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide is CS(=O)(=O)N1CCN(S(C)(=O)=O)[C@@H](C(=O)N[C@@H](CC2CCCCC2)C(N)=O)C1.
What is the InChIKey of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide?
The InChIKey is ZFXXNMZRJUIPOT-UONOGXRCSA-N. The full InChI is InChI=1S/C16H30N4O6S2/c1-27(23,24)19-8-9-20(28(2,25)26)14(11-19)16(22)18-13(15(17)21)10-12-6-4-3-5-7-12/h12-14H,3-11H2,1-2H3,(H2,17,21)(H,18,22)/t13-,14+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide?
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide has a molecular weight of 438.57 g/mol, XLogP of -1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(methylsulfonyl)piperazine-2-carboxamide is sourced from PubChem (CID 7164968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).