(2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide

C12H26N2OS — CID 104907733

IUPAC(2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
SMILESCSCC[C@@H](N)C(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C12H26N2OS/c1-9(2)8-14(10(3)4)12(15)11(13)6-7-16-5/h9-11H,6-8,13H2,1-5H3/t11-/m1/s1
InChIKeySSSBSRHMNZKARA-LLVKDONJSA-N
MW246.42 g/mol
LogP1.96
Rot. Bonds7

About (2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide

(2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide (PubChem CID 104907733) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
PubChem CID104907733
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name(2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
SMILESCSCC[C@@H](N)C(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C12H26N2OS/c1-9(2)8-14(10(3)4)12(15)11(13)6-7-16-5/h9-11H,6-8,13H2,1-5H3/t11-/m1/s1
InChIKeySSSBSRHMNZKARA-LLVKDONJSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-4-methylsulfanyl-N-propan-2-yl-N-propylbutanamide
CID 104906933
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 104908944
(2S)-2-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 79024707
(2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 61165499
(2S)-2-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-4-methylsulfanylbutanamide
CID 61163636
(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide
CID 104908350
(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide
CID 61165244
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 61163777
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
(2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide
CID 103795919
(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
CID 104908209
(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
CID 104906715

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide (CID 104907733) is (2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide is CSCC[C@@H](N)C(=O)N(CC(C)C)C(C)C.
What is the InChIKey of (2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide?
The InChIKey is SSSBSRHMNZKARA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-9(2)8-14(10(3)4)12(15)11(13)6-7-16-5/h9-11H,6-8,13H2,1-5H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide?
(2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide has a molecular weight of 246.42 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 104907733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).