N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide

C9H18N2OS — CID 62667449

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide
SMILESCC(CNC(=O)C(C)(C)C)C(N)=S
InChIInChI=1S/C9H18N2OS/c1-6(7(10)13)5-11-8(12)9(2,3)4/h6H,5H2,1-4H3,(H2,10,13)(H,11,12)
InChIKeyUKDJGECSBNKVGO-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.07
Rot. Bonds3

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide (PubChem CID 62667449) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide
PubChem CID62667449
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide
SMILESCC(CNC(=O)C(C)(C)C)C(N)=S
InChIInChI=1S/C9H18N2OS/c1-6(7(10)13)5-11-8(12)9(2,3)4/h6H,5H2,1-4H3,(H2,10,13)(H,11,12)
InChIKeyUKDJGECSBNKVGO-UHFFFAOYSA-N
XLogP1.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-2-methyl-3-sulfanylidenepropyl)urea
CID 62666520
2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide
CID 166979510
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide
CID 61119877
N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide
CID 62668191
N-(3-amino-2-methyl-3-sulfanylidenepropyl)dodecanamide
CID 65450102
N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide
CID 61121494
3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide
CID 83144311
N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 107158412
3-(2,2-dimethylpropanoylamino)-2-hydroxypropanoic acid
CID 66166212
N-(aminomethyl)-2,2-dimethylpropanamide
CID 134421146
methyl 2-[(3-amino-2-methyl-3-sulfanylidenepropyl)sulfamoyl]propanoate
CID 62666912
N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide (CID 62667449) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide is CC(CNC(=O)C(C)(C)C)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide?
The InChIKey is UKDJGECSBNKVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-6(7(10)13)5-11-8(12)9(2,3)4/h6H,5H2,1-4H3,(H2,10,13)(H,11,12).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide has a molecular weight of 202.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 62667449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).