N-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine

C11H23NOS — CID 62990893

IUPACN-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine
SMILESCCCCNCCSC1CCOCC1
InChIInChI=1S/C11H23NOS/c1-2-3-6-12-7-10-14-11-4-8-13-9-5-11/h11-12H,2-10H2,1H3
InChIKeyHMIDAAGHOVDYAF-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.29
Rot. Bonds7

About N-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine

N-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine (PubChem CID 62990893) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine
PubChem CID62990893
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine
SMILESCCCCNCCSC1CCOCC1
InChIInChI=1S/C11H23NOS/c1-2-3-6-12-7-10-14-11-4-8-13-9-5-11/h11-12H,2-10H2,1H3
InChIKeyHMIDAAGHOVDYAF-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
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-(oxan-4-ylsulfanyl)ethyl]pentan-1-amine
CID 62989640
N-ethyl-4-(oxan-4-ylsulfanyl)butan-1-amine
CID 62991609
N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 62991941
N-[2-(oxan-4-ylmethoxy)ethyl]butan-1-amine
CID 62583465
N-(2-butoxyethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191011
N-(2-cyclopentylsulfanylethyl)-3-ethoxypropan-1-amine
CID 63115842
N-[2-(oxan-4-ylsulfanyl)ethyl]-2-thiophen-2-ylethanamine
CID 62989276
2-ethyl-2-(methylamino)-5-(oxan-4-ylsulfanyl)pentanenitrile
CID 106805384
2-(ethylamino)-2-methyl-4-(oxan-4-ylsulfanyl)butan-1-ol
CID 64805918
N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine
CID 62560454
N-[2-(oxan-4-ylsulfanyl)ethyl]aniline
CID 62990711
2-(ethylamino)-2-methyl-4-(oxan-4-ylsulfanyl)butanenitrile
CID 62991048

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine?
The IUPAC name of N-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine (CID 62990893) is N-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine.
What is the SMILES notation for N-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine?
The canonical SMILES for N-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine is CCCCNCCSC1CCOCC1.
What is the InChIKey of N-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine?
The InChIKey is HMIDAAGHOVDYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-2-3-6-12-7-10-14-11-4-8-13-9-5-11/h11-12H,2-10H2,1H3.
What are the key properties of N-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine?
N-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-4-ylsulfanyl)ethyl]butan-1-amine is sourced from PubChem (CID 62990893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).