1-[methylamino(sulfanyl)amino]propan-2-ol

C4H12N2OS — CID 174895381

IUPAC1-[methylamino(sulfanyl)amino]propan-2-ol
SMILESCNN(S)CC(C)O
InChIInChI=1S/C4H12N2OS/c1-4(7)3-6(8)5-2/h4-5,7-8H,3H2,1-2H3
InChIKeyIHDRXHRXYWTERB-UHFFFAOYSA-N
MW136.22 g/mol
LogP-0.35
Rot. Bonds3

About 1-[methylamino(sulfanyl)amino]propan-2-ol

1-[methylamino(sulfanyl)amino]propan-2-ol (PubChem CID 174895381) has the molecular formula C4H12N2OS and a molecular weight of 136.22 g/mol. Its IUPAC name is 1-[methylamino(sulfanyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[methylamino(sulfanyl)amino]propan-2-ol
PubChem CID174895381
Molecular FormulaC4H12N2OS
Molecular Weight136.22 g/mol
Exact Mass136.07
IUPAC Name1-[methylamino(sulfanyl)amino]propan-2-ol
SMILESCNN(S)CC(C)O
InChIInChI=1S/C4H12N2OS/c1-4(7)3-6(8)5-2/h4-5,7-8H,3H2,1-2H3
InChIKeyIHDRXHRXYWTERB-UHFFFAOYSA-N
XLogP-0.35
TPSA35.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
(2R)-1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 103668529
1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 62337944
1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
CID 20820329
(2S)-1-[amino(methyl)amino]propan-2-ol
CID 124512357
(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500
5-[methyl(methylamino)amino]pentan-2-ol
CID 123798269
(2S)-1-[2-[(2R)-2-hydroxypropyl]-2-[(2S)-2-hydroxypropyl]hydrazinyl]propan-2-ol
CID 92557049
1-iodo-2-[methyl(methylamino)amino]ethanol
CID 166768311
1-[amino(sulfanyl)amino]ethanol
CID 174685104
1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol
CID 171780139
(2R)-1-[1-(dimethylamino)propan-2-ylamino]propan-2-ol
CID 106932409

Frequently Asked Questions

What is the IUPAC name of 1-[methylamino(sulfanyl)amino]propan-2-ol?
The IUPAC name of 1-[methylamino(sulfanyl)amino]propan-2-ol (CID 174895381) is 1-[methylamino(sulfanyl)amino]propan-2-ol.
What is the SMILES notation for 1-[methylamino(sulfanyl)amino]propan-2-ol?
The canonical SMILES for 1-[methylamino(sulfanyl)amino]propan-2-ol is CNN(S)CC(C)O.
What is the InChIKey of 1-[methylamino(sulfanyl)amino]propan-2-ol?
The InChIKey is IHDRXHRXYWTERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2OS/c1-4(7)3-6(8)5-2/h4-5,7-8H,3H2,1-2H3.
What are the key properties of 1-[methylamino(sulfanyl)amino]propan-2-ol?
1-[methylamino(sulfanyl)amino]propan-2-ol has a molecular weight of 136.22 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methylamino(sulfanyl)amino]propan-2-ol is sourced from PubChem (CID 174895381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).