N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide

C10H20N2OS — CID 114874782

IUPACN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C10H20N2OS/c1-5-7(2)6-8(13)12-10(3,4)9(11)14/h7H,5-6H2,1-4H3,(H2,11,14)(H,12,13)
InChIKeyPPJSVORYADVUKL-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.60
Rot. Bonds5

About N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide (PubChem CID 114874782) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide
PubChem CID114874782
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C10H20N2OS/c1-5-7(2)6-8(13)12-10(3,4)9(11)14/h7H,5-6H2,1-4H3,(H2,11,14)(H,12,13)
InChIKeyPPJSVORYADVUKL-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)butanamide
CID 61121022
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3,5,5-trimethylhexanamide
CID 61120416
2-(3-ethylpentanoylamino)-2-methylpropanoic acid
CID 120516010
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylpentanamide
CID 114875408
N-(4-hydroxy-2-methylbutan-2-yl)-3-methylpentanamide
CID 114875470
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylpentanamide
CID 114875694
(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)urea
CID 61121623
N-(3-carbamothioylpentan-3-yl)-3,4,4-trimethylpentanamide
CID 63834681
N-(1-chloro-3-methylpentan-3-yl)-3-methylpentanamide
CID 106168655
2-[(3-ethyl-4-methylpentanoyl)amino]-2-methylpropanoic acid
CID 119187457
3-methylpentanethioamide
CID 54078997
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide
CID 104982329

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide (CID 114874782) is N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide is CCC(C)CC(=O)NC(C)(C)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide?
The InChIKey is PPJSVORYADVUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-5-7(2)6-8(13)12-10(3,4)9(11)14/h7H,5-6H2,1-4H3,(H2,11,14)(H,12,13).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide?
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide has a molecular weight of 216.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-methylpentanamide is sourced from PubChem (CID 114874782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).