N-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide

C8H17NO2S — CID 107029573

IUPACN-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide
SMILESCC(CO)NC(=O)C(S)C(C)C
InChIInChI=1S/C8H17NO2S/c1-5(2)7(12)8(11)9-6(3)4-10/h5-7,10,12H,4H2,1-3H3,(H,9,11)
InChIKeyJVNXZTMNIQSVNO-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.44
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide

N-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide (PubChem CID 107029573) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide
PubChem CID107029573
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide
SMILESCC(CO)NC(=O)C(S)C(C)C
InChIInChI=1S/C8H17NO2S/c1-5(2)7(12)8(11)9-6(3)4-10/h5-7,10,12H,4H2,1-3H3,(H,9,11)
InChIKeyJVNXZTMNIQSVNO-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-amino-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 107219144
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide
CID 107218503
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 55298424
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide
CID 107033569
2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide
CID 79030912
(2S)-2-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-methylpentanamide
CID 107218532
1-[(2S)-1-hydroxypropan-2-yl]-3-propan-2-ylurea
CID 79023677
N'-(1-hydroxypropan-2-yl)-N-methyloxamide
CID 130666774
2-amino-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 93083458
N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-2-sulfanylbutanamide
CID 106173312
N-(1-hydroxypropan-2-yl)-2,2-diphenylacetamide
CID 78856864

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide (CID 107029573) is N-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide is CC(CO)NC(=O)C(S)C(C)C.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide?
The InChIKey is JVNXZTMNIQSVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-5(2)7(12)8(11)9-6(3)4-10/h5-7,10,12H,4H2,1-3H3,(H,9,11).
What are the key properties of N-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide?
N-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide 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-(1-hydroxypropan-2-yl)-3-methyl-2-sulfanylbutanamide is sourced from PubChem (CID 107029573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).