N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide

C12H26N2OS — CID 63888731

IUPACN-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide
SMILESCC(C)CC(CN)NC(=O)CSC(C)(C)C
InChIInChI=1S/C12H26N2OS/c1-9(2)6-10(7-13)14-11(15)8-16-12(3,4)5/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyJFGRYAVDHPYGQV-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.01
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide

N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide (PubChem CID 63888731) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide
PubChem CID63888731
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide
SMILESCC(C)CC(CN)NC(=O)CSC(C)(C)C
InChIInChI=1S/C12H26N2OS/c1-9(2)6-10(7-13)14-11(15)8-16-12(3,4)5/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyJFGRYAVDHPYGQV-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride
CID 120506117
N-(1-amino-4-methylpentan-2-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119585818
2-tert-butylsulfanyl-N-propan-2-ylacetamide
CID 126656909
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
N-(1-amino-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide;hydrochloride
CID 119588676
N-(1-amino-4-methylpentan-2-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
CID 119588684
N-(1-amino-4-methylpentan-2-yl)-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119586311
N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide
CID 122080607
N-(1-amino-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310367
N-(1-amino-4-methylpentan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475600
N-(1-amino-4-methylpentan-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119588609
N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylacetamide;hydrochloride
CID 119586595

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide (CID 63888731) is N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide is CC(C)CC(CN)NC(=O)CSC(C)(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide?
The InChIKey is JFGRYAVDHPYGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-9(2)6-10(7-13)14-11(15)8-16-12(3,4)5/h9-10H,6-8,13H2,1-5H3,(H,14,15).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide?
N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide has a molecular weight of 246.42 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide is sourced from PubChem (CID 63888731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).