(2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide

C11H20F3N3O2S — CID 170770283

IUPAC(2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
SMILES[H]N=S(=O)(CCCC(F)(F)F)CC[C@H](N)C(=O)NC1CC1
InChIInChI=1S/C11H20F3N3O2S/c12-11(13,14)5-1-6-20(16,19)7-4-9(15)10(18)17-8-2-3-8/h8-9,16H,1-7,15H2,(H,17,18)/t9-,20?/m0/s1
InChIKeyFUZAEUCMGYAKLY-KMYGYIBBSA-N
MW315.36 g/mol
LogP1.37
Rot. Bonds8

About (2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide

(2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide (PubChem CID 170770283) has the molecular formula C11H20F3N3O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
PubChem CID170770283
Molecular FormulaC11H20F3N3O2S
Molecular Weight315.36 g/mol
Exact Mass315.12
IUPAC Name(2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
SMILES[H]N=S(=O)(CCCC(F)(F)F)CC[C@H](N)C(=O)NC1CC1
InChIInChI=1S/C11H20F3N3O2S/c12-11(13,14)5-1-6-20(16,19)7-4-9(15)10(18)17-8-2-3-8/h8-9,16H,1-7,15H2,(H,17,18)/t9-,20?/m0/s1
InChIKeyFUZAEUCMGYAKLY-KMYGYIBBSA-N
XLogP1.37
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-(3,3-dimethylbutylsulfonimidoyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 174246046
(2S)-2-amino-N-butyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
CID 174251795
2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 24692832
(2R)-2-amino-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 28177537
2-amino-N-butyl-4-(4,4,4-trifluorobutylsulfanyl)butanamide
CID 170770590
(2S)-2-amino-N-(3-chloropropyl)-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide
CID 174246623
(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-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide
CID 174246044
(2S)-2-amino-N-cyclopropyl-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 55008637
2-amino-N-cyclopropyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 55009227
2-amino-N-ethyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 55009324

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide (CID 170770283) is (2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide is [H]N=S(=O)(CCCC(F)(F)F)CC[C@H](N)C(=O)NC1CC1.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide?
The InChIKey is FUZAEUCMGYAKLY-KMYGYIBBSA-N. The full InChI is InChI=1S/C11H20F3N3O2S/c12-11(13,14)5-1-6-20(16,19)7-4-9(15)10(18)17-8-2-3-8/h8-9,16H,1-7,15H2,(H,17,18)/t9-,20?/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide?
(2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide has a molecular weight of 315.36 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopropyl-4-(4,4,4-trifluorobutylsulfonimidoyl)butanamide is sourced from PubChem (CID 170770283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).