N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide

C10H20N2OS — CID 61121494

IUPACN-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide
SMILESCCCC(NC(=O)C(C)(C)C)C(N)=S
InChIInChI=1S/C10H20N2OS/c1-5-6-7(8(11)14)12-9(13)10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,14)(H,12,13)
InChIKeyIGQKJPHXUDUXOF-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.60
Rot. Bonds4

About N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide

N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide (PubChem CID 61121494) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide
PubChem CID61121494
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide
SMILESCCCC(NC(=O)C(C)(C)C)C(N)=S
InChIInChI=1S/C10H20N2OS/c1-5-6-7(8(11)14)12-9(13)10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,14)(H,12,13)
InChIKeyIGQKJPHXUDUXOF-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-1-sulfanylidenepentan-2-yl)-2-propylpentanamide
CID 82983954
N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide
CID 61120703
3-(1-amino-1-sulfanylidenepentan-2-yl)-1-ethyl-1-methylurea
CID 79160138
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide
CID 61119877
(3S)-N-cyclopropyl-3-(2,2-dimethylpropanoylamino)-2-oxohexanamide
CID 58973568
ethyl 2-(2,2-dimethylpropanoylamino)pent-4-ynoate
CID 12071981
(2S)-4-amino-2-(2,2-dimethylpropanoylamino)-4-oxobutanoic acid
CID 30053119
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2,2-dimethylpropanamide
CID 62667449
2-[(2-amino-2-methylbutanoyl)amino]pentanoic acid
CID 79805263
2-(2,2-dimethylpropanoylamino)-4-ethylsulfonylbutanoic acid
CID 108731672
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methylbenzamide
CID 61120312
N-(1-amino-1-sulfanylidenepentan-2-yl)-2,6-dichlorobenzamide
CID 61120309

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide (CID 61121494) is N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide is CCCC(NC(=O)C(C)(C)C)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide?
The InChIKey is IGQKJPHXUDUXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-5-6-7(8(11)14)12-9(13)10(2,3)4/h7H,5-6H2,1-4H3,(H2,11,14)(H,12,13).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide?
N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide has a molecular weight of 216.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 61121494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).