N-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide

C8H17NO2S — CID 87450490

IUPACN-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide
SMILESCC(O)CNC(=O)C(C)(C)CS
InChIInChI=1S/C8H17NO2S/c1-6(10)4-9-7(11)8(2,3)5-12/h6,10,12H,4-5H2,1-3H3,(H,9,11)
InChIKeyXVSGABGGLPEVIJ-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.44
Rot. Bonds4

About N-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide

N-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide (PubChem CID 87450490) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide
PubChem CID87450490
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide
SMILESCC(O)CNC(=O)C(C)(C)CS
InChIInChI=1S/C8H17NO2S/c1-6(10)4-9-7(11)8(2,3)5-12/h6,10,12H,4-5H2,1-3H3,(H,9,11)
InChIKeyXVSGABGGLPEVIJ-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-N-(2-hydroxypropyl)-2,3,3-trimethylbutanamide
CID 88557518
5-ethyl-N-(2-hydroxypropyl)-2,2,3,3,5,6,6-heptamethylheptanamide
CID 130388255
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
3-[[4-(2-hydroxypropylcarbamoyl)-2,2,4-trimethylhexanoyl]amino]propyl-trimethylazanium
CID 58271441
2-(tert-butylamino)-N-[(2R)-2-hydroxypropyl]acetamide
CID 103884721
2-(4-chlorophenyl)-N-(2-hydroxypropyl)-2-methylpropanamide
CID 110466162
N-(3-bromo-2-methylpropyl)-2,2-dimethylbutanamide
CID 114313422
3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide
CID 83141302
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 110902978
5-(2-hydroxypropylamino)-2,2-dimethylhex-4-en-3-one
CID 72589795
N-[(2R)-2-(ethylamino)propyl]-2,2-dimethylbutanamide
CID 120653493
N,N'-bis[1-(2-hydroxypropylamino)-1-oxo-3-sulfanylpropan-2-yl]oxamide
CID 87760899

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide?
The IUPAC name of N-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide (CID 87450490) is N-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide?
The canonical SMILES for N-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide is CC(O)CNC(=O)C(C)(C)CS.
What is the InChIKey of N-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide?
The InChIKey is XVSGABGGLPEVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-6(10)4-9-7(11)8(2,3)5-12/h6,10,12H,4-5H2,1-3H3,(H,9,11).
What are the key properties of N-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide?
N-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide has a molecular weight of 191.30 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2,2-dimethyl-3-sulfanylpropanamide is sourced from PubChem (CID 87450490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).