3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol

C10H23NOS — CID 103578586

IUPAC3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol
SMILESCC(C)CCNCCSCCCO
InChIInChI=1S/C10H23NOS/c1-10(2)4-5-11-6-9-13-8-3-7-12/h10-12H,3-9H2,1-2H3
InChIKeyKCLLRJVRGDTNHK-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.74
Rot. Bonds9

About 3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol

3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol (PubChem CID 103578586) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol
PubChem CID103578586
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol
SMILESCC(C)CCNCCSCCCO
InChIInChI=1S/C10H23NOS/c1-10(2)4-5-11-6-9-13-8-3-7-12/h10-12H,3-9H2,1-2H3
InChIKeyKCLLRJVRGDTNHK-UHFFFAOYSA-N
XLogP1.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
CID 103767537
3-[2-(hexylamino)ethylsulfanyl]propan-1-ol
CID 106309422
3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide
CID 106310415
3-[2-(4-methylpentan-2-ylamino)ethylsulfanyl]propan-1-ol
CID 115717850
1-[2-(3-hydroxypropylsulfanyl)ethylamino]butan-2-ol
CID 106310213
2-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-pentan-2-ylacetamide
CID 114171847
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
CID 103767304
3-[2-(3-ethoxypropylamino)ethylsulfanyl]propan-1-ol
CID 106310428
4-[2-(3-hydroxypropylsulfanyl)ethylamino]-2,2-dimethylbutanenitrile
CID 106310264
2-[2-(3-methylbutylamino)ethoxy]ethanol
CID 28727325
4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentan-1-amine
CID 62579266
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide
CID 106310842

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol (CID 103578586) is 3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol is CC(C)CCNCCSCCCO.
What is the InChIKey of 3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol?
The InChIKey is KCLLRJVRGDTNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-10(2)4-5-11-6-9-13-8-3-7-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol?
3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol has a molecular weight of 205.37 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 103578586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).