4-(4-methylsulfanylbutylamino)pentan-1-ol

C10H23NOS — CID 115972036

IUPAC4-(4-methylsulfanylbutylamino)pentan-1-ol
SMILESCSCCCCNC(C)CCCO
InChIInChI=1S/C10H23NOS/c1-10(6-5-8-12)11-7-3-4-9-13-2/h10-12H,3-9H2,1-2H3
InChIKeyADHNLFPIGGGZOM-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.88
Rot. Bonds9

About 4-(4-methylsulfanylbutylamino)pentan-1-ol

4-(4-methylsulfanylbutylamino)pentan-1-ol (PubChem CID 115972036) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 4-(4-methylsulfanylbutylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(4-methylsulfanylbutylamino)pentan-1-ol
PubChem CID115972036
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name4-(4-methylsulfanylbutylamino)pentan-1-ol
SMILESCSCCCCNC(C)CCCO
InChIInChI=1S/C10H23NOS/c1-10(6-5-8-12)11-7-3-4-9-13-2/h10-12H,3-9H2,1-2H3
InChIKeyADHNLFPIGGGZOM-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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-(4-methylsulfanylbutyl)hexan-2-amine
CID 115721503
(4R)-4-(octylamino)pentan-1-ol
CID 98118615
6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine
CID 116534805
N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 114525279
3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine
CID 115721446
(2S)-2-(4-methylsulfanylbutylamino)butan-1-ol
CID 103088479
(2S)-4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine
CID 59084806
N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine
CID 104537240
3-(octylamino)butan-1-ol
CID 83177243
5-[5-(diethylamino)pentan-2-ylamino]pentan-1-ol
CID 55053099
4-[2-[methyl(propan-2-yl)amino]ethylamino]pentan-1-ol
CID 115971792
3-[5-(propylamino)hexylsulfanyl]butan-1-ol
CID 66137562

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylbutylamino)pentan-1-ol?
The IUPAC name of 4-(4-methylsulfanylbutylamino)pentan-1-ol (CID 115972036) is 4-(4-methylsulfanylbutylamino)pentan-1-ol.
What is the SMILES notation for 4-(4-methylsulfanylbutylamino)pentan-1-ol?
The canonical SMILES for 4-(4-methylsulfanylbutylamino)pentan-1-ol is CSCCCCNC(C)CCCO.
What is the InChIKey of 4-(4-methylsulfanylbutylamino)pentan-1-ol?
The InChIKey is ADHNLFPIGGGZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-10(6-5-8-12)11-7-3-4-9-13-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-(4-methylsulfanylbutylamino)pentan-1-ol?
4-(4-methylsulfanylbutylamino)pentan-1-ol has a molecular weight of 205.37 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylbutylamino)pentan-1-ol is sourced from PubChem (CID 115972036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).