(2S)-2-amino-3-cyclohexyl-N-pyrazin-2-ylsulfonylpropanamide

C13H20N4O3S — CID 166337875

IUPAC(2S)-2-amino-3-cyclohexyl-N-pyrazin-2-ylsulfonylpropanamide
SMILESN[C@@H](CC1CCCCC1)C(=O)NS(=O)(=O)c1cnccn1
InChIInChI=1S/C13H20N4O3S/c14-11(8-10-4-2-1-3-5-10)13(18)17-21(19,20)12-9-15-6-7-16-12/h6-7,9-11H,1-5,8,14H2,(H,17,18)/t11-/m0/s1
InChIKeyNKSWPPTVPJUYGH-NSHDSACASA-N
MW312.39 g/mol
LogP0.58
Rot. Bonds5

About (2S)-2-amino-3-cyclohexyl-N-pyrazin-2-ylsulfonylpropanamide

(2S)-2-amino-3-cyclohexyl-N-pyrazin-2-ylsulfonylpropanamide (PubChem CID 166337875) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-N-pyrazin-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexyl-N-pyrazin-2-ylsulfonylpropanamide
PubChem CID166337875
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name(2S)-2-amino-3-cyclohexyl-N-pyrazin-2-ylsulfonylpropanamide
SMILESN[C@@H](CC1CCCCC1)C(=O)NS(=O)(=O)c1cnccn1
InChIInChI=1S/C13H20N4O3S/c14-11(8-10-4-2-1-3-5-10)13(18)17-21(19,20)12-9-15-6-7-16-12/h6-7,9-11H,1-5,8,14H2,(H,17,18)/t11-/m0/s1
InChIKeyNKSWPPTVPJUYGH-NSHDSACASA-N
XLogP0.58
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclohexyl-N-pyrazin-2-ylsulfonylpropanamide?
The IUPAC name of (2S)-2-amino-3-cyclohexyl-N-pyrazin-2-ylsulfonylpropanamide (CID 166337875) is (2S)-2-amino-3-cyclohexyl-N-pyrazin-2-ylsulfonylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-N-pyrazin-2-ylsulfonylpropanamide?
The canonical SMILES for (2S)-2-amino-3-cyclohexyl-N-pyrazin-2-ylsulfonylpropanamide is N[C@@H](CC1CCCCC1)C(=O)NS(=O)(=O)c1cnccn1.
What is the InChIKey of (2S)-2-amino-3-cyclohexyl-N-pyrazin-2-ylsulfonylpropanamide?
The InChIKey is NKSWPPTVPJUYGH-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4O3S/c14-11(8-10-4-2-1-3-5-10)13(18)17-21(19,20)12-9-15-6-7-16-12/h6-7,9-11H,1-5,8,14H2,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclohexyl-N-pyrazin-2-ylsulfonylpropanamide?
(2S)-2-amino-3-cyclohexyl-N-pyrazin-2-ylsulfonylpropanamide has a molecular weight of 312.39 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexyl-N-pyrazin-2-ylsulfonylpropanamide is sourced from PubChem (CID 166337875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).