(2S)-2-amino-N-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide

C13H27N3O2S — CID 174246044

IUPAC(2S)-2-amino-N-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide
SMILES[H]N=S(=O)(CC[C@H](N)C(=O)NC1CC1)CCC(C)(C)C
InChIInChI=1S/C13H27N3O2S/c1-13(2,3)7-9-19(15,18)8-6-11(14)12(17)16-10-4-5-10/h10-11,15H,4-9,14H2,1-3H3,(H,16,17)/t11-,19?/m0/s1
InChIKeyCOYOBYXVZXUQRS-IFGYVTRGSA-N
MW289.44 g/mol
LogP1.47
Rot. Bonds7

About (2S)-2-amino-N-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide

(2S)-2-amino-N-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide (PubChem CID 174246044) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide
PubChem CID174246044
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name(2S)-2-amino-N-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide
SMILES[H]N=S(=O)(CC[C@H](N)C(=O)NC1CC1)CCC(C)(C)C
InChIInChI=1S/C13H27N3O2S/c1-13(2,3)7-9-19(15,18)8-6-11(14)12(17)16-10-4-5-10/h10-11,15H,4-9,14H2,1-3H3,(H,16,17)/t11-,19?/m0/s1
InChIKeyCOYOBYXVZXUQRS-IFGYVTRGSA-N
XLogP1.47
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide?
The IUPAC name of (2S)-2-amino-N-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide (CID 174246044) is (2S)-2-amino-N-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide is [H]N=S(=O)(CC[C@H](N)C(=O)NC1CC1)CCC(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide?
The InChIKey is COYOBYXVZXUQRS-IFGYVTRGSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-13(2,3)7-9-19(15,18)8-6-11(14)12(17)16-10-4-5-10/h10-11,15H,4-9,14H2,1-3H3,(H,16,17)/t11-,19?/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide?
(2S)-2-amino-N-cyclopropyl-4-(3,3-dimethylbutylsulfonimidoyl)butanamide has a molecular weight of 289.44 g/mol, XLogP of 1.47, 7 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-(3,3-dimethylbutylsulfonimidoyl)butanamide is sourced from PubChem (CID 174246044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).