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

C8H19N3O2S — CID 170770291

IUPAC(2S)-2-amino-4-(butylsulfonimidoyl)butanamide
SMILES[H]N=S(=O)(CCCC)CC[C@H](N)C(N)=O
InChIInChI=1S/C8H19N3O2S/c1-2-3-5-14(11,13)6-4-7(9)8(10)12/h7,11H,2-6,9H2,1H3,(H2,10,12)/t7-,14?/m0/s1
InChIKeyCQTJLRSHNXFECL-CVSPRKDYSA-N
MW221.33 g/mol
LogP0.04
Rot. Bonds7

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

(2S)-2-amino-4-(butylsulfonimidoyl)butanamide (PubChem CID 170770291) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is (2S)-2-amino-4-(butylsulfonimidoyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-(butylsulfonimidoyl)butanamide
PubChem CID170770291
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name(2S)-2-amino-4-(butylsulfonimidoyl)butanamide
SMILES[H]N=S(=O)(CCCC)CC[C@H](N)C(N)=O
InChIInChI=1S/C8H19N3O2S/c1-2-3-5-14(11,13)6-4-7(9)8(10)12/h7,11H,2-6,9H2,1H3,(H2,10,12)/t7-,14?/m0/s1
InChIKeyCQTJLRSHNXFECL-CVSPRKDYSA-N
XLogP0.04
TPSA110.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(butylsulfonimidoyl)butanamide?
The IUPAC name of (2S)-2-amino-4-(butylsulfonimidoyl)butanamide (CID 170770291) is (2S)-2-amino-4-(butylsulfonimidoyl)butanamide.
What is the SMILES notation for (2S)-2-amino-4-(butylsulfonimidoyl)butanamide?
The canonical SMILES for (2S)-2-amino-4-(butylsulfonimidoyl)butanamide is [H]N=S(=O)(CCCC)CC[C@H](N)C(N)=O.
What is the InChIKey of (2S)-2-amino-4-(butylsulfonimidoyl)butanamide?
The InChIKey is CQTJLRSHNXFECL-CVSPRKDYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-2-3-5-14(11,13)6-4-7(9)8(10)12/h7,11H,2-6,9H2,1H3,(H2,10,12)/t7-,14?/m0/s1.
What are the key properties of (2S)-2-amino-4-(butylsulfonimidoyl)butanamide?
(2S)-2-amino-4-(butylsulfonimidoyl)butanamide has a molecular weight of 221.33 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(butylsulfonimidoyl)butanamide is sourced from PubChem (CID 170770291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).