(2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide

C10H22N2O3S2 — CID 87710818

IUPAC(2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@](N)(C(N)=O)S(=O)(=O)CCC(C)C
InChIInChI=1S/C10H22N2O3S2/c1-8(2)4-7-17(14,15)10(12,9(11)13)5-6-16-3/h8H,4-7,12H2,1-3H3,(H2,11,13)/t10-/m1/s1
InChIKeyQKGHYFJIVQRVLL-SNVBAGLBSA-N
MW282.43 g/mol
LogP0.34
Rot. Bonds8

About (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide

(2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide (PubChem CID 87710818) has the molecular formula C10H22N2O3S2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide
PubChem CID87710818
Molecular FormulaC10H22N2O3S2
Molecular Weight282.43 g/mol
Exact Mass282.11
IUPAC Name(2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@](N)(C(N)=O)S(=O)(=O)CCC(C)C
InChIInChI=1S/C10H22N2O3S2/c1-8(2)4-7-17(14,15)10(12,9(11)13)5-6-16-3/h8H,4-7,12H2,1-3H3,(H2,11,13)/t10-/m1/s1
InChIKeyQKGHYFJIVQRVLL-SNVBAGLBSA-N
XLogP0.34
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide (CID 87710818) is (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide is CSCC[C@](N)(C(N)=O)S(=O)(=O)CCC(C)C.
What is the InChIKey of (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide?
The InChIKey is QKGHYFJIVQRVLL-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H22N2O3S2/c1-8(2)4-7-17(14,15)10(12,9(11)13)5-6-16-3/h8H,4-7,12H2,1-3H3,(H2,11,13)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide?
(2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide has a molecular weight of 282.43 g/mol, XLogP of 0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-methylbutylsulfonyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 87710818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).