1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol

C7H17NOS — CID 123545246

IUPAC1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol
SMILESCC(O)CNC(S)C(C)C
InChIInChI=1S/C7H17NOS/c1-5(2)7(10)8-4-6(3)9/h5-10H,4H2,1-3H3
InChIKeyNUTNGUWUASGAOT-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.87
Rot. Bonds4

About 1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol

1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol (PubChem CID 123545246) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol
PubChem CID123545246
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol
SMILESCC(O)CNC(S)C(C)C
InChIInChI=1S/C7H17NOS/c1-5(2)7(10)8-4-6(3)9/h5-10H,4H2,1-3H3
InChIKeyNUTNGUWUASGAOT-UHFFFAOYSA-N
XLogP0.87
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(dichloromethylamino)propan-2-ol
CID 57172655
1-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 21493190
2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 106932287
(2R)-1-[[(2S)-1-hydroxypropan-2-yl]amino]propan-2-ol
CID 55298734
2-(2-hydroxypropylamino)-3-methylbutanoic acid
CID 21121256
(2S)-2-[[(2R)-2-hydroxypropyl]amino]-3-methylbutanoic acid
CID 58703522
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
N'-hydroxy-2-(2-hydroxypropylamino)propanimidamide
CID 77028594
(2R)-1-[[(2S)-5-methylhexan-2-yl]amino]propan-2-ol
CID 93081921
(2R)-1-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
CID 106932409
1-(2-hydroxypropylamino)propan-2-ol;methane
CID 161456696

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol?
The IUPAC name of 1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol (CID 123545246) is 1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol is CC(O)CNC(S)C(C)C.
What is the InChIKey of 1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol?
The InChIKey is NUTNGUWUASGAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-5(2)7(10)8-4-6(3)9/h5-10H,4H2,1-3H3.
What are the key properties of 1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol?
1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol has a molecular weight of 163.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1-sulfanylpropyl)amino]propan-2-ol is sourced from PubChem (CID 123545246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).