3-(4-aminohexylsulfanyl)butan-2-ol

C10H23NOS — CID 107772600

IUPAC3-(4-aminohexylsulfanyl)butan-2-ol
SMILESCCC(N)CCCSC(C)C(C)O
InChIInChI=1S/C10H23NOS/c1-4-10(11)6-5-7-13-9(3)8(2)12/h8-10,12H,4-7,11H2,1-3H3
InChIKeyFLSAPONWVNFVCL-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.01
Rot. Bonds7

About 3-(4-aminohexylsulfanyl)butan-2-ol

3-(4-aminohexylsulfanyl)butan-2-ol (PubChem CID 107772600) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 3-(4-aminohexylsulfanyl)butan-2-ol.

Molecular Properties

Compound Name3-(4-aminohexylsulfanyl)butan-2-ol
PubChem CID107772600
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name3-(4-aminohexylsulfanyl)butan-2-ol
SMILESCCC(N)CCCSC(C)C(C)O
InChIInChI=1S/C10H23NOS/c1-4-10(11)6-5-7-13-9(3)8(2)12/h8-10,12H,4-7,11H2,1-3H3
InChIKeyFLSAPONWVNFVCL-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.01
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

3-(4-hydroxybutylsulfanyl)butan-2-ol
CID 107771373
tridecan-3-amine
CID 19435959
2-amino-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
CID 107771805
tritriactan-3-amine;hydrochloride
CID 173389490
tetradecan-3-amine;hydrobromide
CID 173393490
5-aminoheptane-1,1-diol;dihydroxy(oxo)phosphanium
CID 174888571
3-[(2R)-2-aminopropyl]sulfanylbutan-2-ol
CID 107772376
2,7-diaminononan-1-ol
CID 141295191
4-aminohexane-1,1-diol
CID 91042814
3-[3-(tert-butylamino)propylsulfanyl]butan-2-ol
CID 107772498
acetic acid;henicosan-3-amine
CID 174717408
acetic acid;decan-3-amine
CID 87798591

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminohexylsulfanyl)butan-2-ol?
The IUPAC name of 3-(4-aminohexylsulfanyl)butan-2-ol (CID 107772600) is 3-(4-aminohexylsulfanyl)butan-2-ol.
What is the SMILES notation for 3-(4-aminohexylsulfanyl)butan-2-ol?
The canonical SMILES for 3-(4-aminohexylsulfanyl)butan-2-ol is CCC(N)CCCSC(C)C(C)O.
What is the InChIKey of 3-(4-aminohexylsulfanyl)butan-2-ol?
The InChIKey is FLSAPONWVNFVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-4-10(11)6-5-7-13-9(3)8(2)12/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of 3-(4-aminohexylsulfanyl)butan-2-ol?
3-(4-aminohexylsulfanyl)butan-2-ol has a molecular weight of 205.37 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminohexylsulfanyl)butan-2-ol is sourced from PubChem (CID 107772600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).