3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide

C12H24N2OS — CID 83144311

IUPAC3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide
SMILESCC(CNC(=O)C(C)(C)C(N)=S)C(C)(C)C
InChIInChI=1S/C12H24N2OS/c1-8(11(2,3)4)7-14-10(15)12(5,6)9(13)16/h8H,7H2,1-6H3,(H2,13,16)(H,14,15)
InChIKeyWIBLTFZQFZPBQT-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.10
Rot. Bonds4

About 3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide

3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide (PubChem CID 83144311) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide
PubChem CID83144311
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide
SMILESCC(CNC(=O)C(C)(C)C(N)=S)C(C)(C)C
InChIInChI=1S/C12H24N2OS/c1-8(11(2,3)4)7-14-10(15)12(5,6)9(13)16/h8H,7H2,1-6H3,(H2,13,16)(H,14,15)
InChIKeyWIBLTFZQFZPBQT-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.10
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

2-carbamothioyl-2-ethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83143832
3-amino-N-(2,2-difluoroethyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 115407186
3-amino-2,2,3-trimethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142759
3-amino-N-(3,3-dimethylbutan-2-yl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 104828391
3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide
CID 83141302
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 106277356
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide
CID 83142236
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
CID 83143356
1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea
CID 115629343
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide
CID 62667449
2-(N'-hydroxycarbamimidoyl)-N-(2,3,3-trimethylbutyl)butanamide
CID 83143925

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide (CID 83144311) is 3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide is CC(CNC(=O)C(C)(C)C(N)=S)C(C)(C)C.
What is the InChIKey of 3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide?
The InChIKey is WIBLTFZQFZPBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-8(11(2,3)4)7-14-10(15)12(5,6)9(13)16/h8H,7H2,1-6H3,(H2,13,16)(H,14,15).
What are the key properties of 3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide?
3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide has a molecular weight of 244.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide is sourced from PubChem (CID 83144311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).