(2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide

C10H20N4O2S — CID 170770239

IUPAC(2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide
SMILES[H]N=S(=O)(CCCC)CC[C@H](N)C(=O)NCC#N
InChIInChI=1S/C10H20N4O2S/c1-2-3-7-17(13,16)8-4-9(12)10(15)14-6-5-11/h9,13H,2-4,6-8,12H2,1H3,(H,14,15)/t9-,17?/m0/s1
InChIKeyJPVHSENGCNHJIS-WFVOFKTRSA-N
MW260.36 g/mol
LogP0.19
Rot. Bonds8

About (2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide

(2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide (PubChem CID 170770239) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is (2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide
PubChem CID170770239
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name(2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide
SMILES[H]N=S(=O)(CCCC)CC[C@H](N)C(=O)NCC#N
InChIInChI=1S/C10H20N4O2S/c1-2-3-7-17(13,16)8-4-9(12)10(15)14-6-5-11/h9,13H,2-4,6-8,12H2,1H3,(H,14,15)/t9-,17?/m0/s1
InChIKeyJPVHSENGCNHJIS-WFVOFKTRSA-N
XLogP0.19
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze (2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2s)-2-(Acetylamino)-N-Methyl-4-[(R)-Methylsulfinyl]butanamide
CID 44228992
(2S)-2-amino-N-butyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
CID 174251795
(2s)-2-(Acetylamino)-N-Methyl-4-[(S)-Methylsulfinyl]butanamide
CID 24178118
(2S)-2-amino-4-(butylsulfonimidoyl)-N-methylbutanamide
CID 170769914
(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-(butylsulfonimidoyl)butanamide
CID 170769978
(2S)-2-amino-N-butyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide
CID 170770563
(2S)-2-amino-4-(butylsulfonimidoyl)-N-prop-2-ynylbutanamide
CID 170770608
(2S)-2-amino-N-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide
CID 174246044
N~2~-Acetyl-N-methyl-L-methioninamide
CID 13875187
Ac-D-Met(O)-Met(O)-Met(O)-NH2
CID 139213103
(2S)-2-acetamido-4-methylsulfinylbutanamide
CID 139213106
2-[(2-Acetamidoacetyl)amino]-4-methylsulfanylbutanamide
CID 3128468

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide?
The IUPAC name of (2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide (CID 170770239) is (2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide?
The canonical SMILES for (2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide is [H]N=S(=O)(CCCC)CC[C@H](N)C(=O)NCC#N.
What is the InChIKey of (2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide?
The InChIKey is JPVHSENGCNHJIS-WFVOFKTRSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-2-3-7-17(13,16)8-4-9(12)10(15)14-6-5-11/h9,13H,2-4,6-8,12H2,1H3,(H,14,15)/t9-,17?/m0/s1.
What are the key properties of (2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide?
(2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide has a molecular weight of 260.36 g/mol, XLogP of 0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(butylsulfonimidoyl)-N-(cyanomethyl)butanamide is sourced from PubChem (CID 170770239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).