N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine

C11H23NOS — CID 115725520

IUPACN-(4-ethylsulfanylbutan-2-yl)oxan-3-amine
SMILESCCSCCC(C)NC1CCCOC1
InChIInChI=1S/C11H23NOS/c1-3-14-8-6-10(2)12-11-5-4-7-13-9-11/h10-12H,3-9H2,1-2H3
InChIKeySTBXANUISCXMNU-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.29
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine

N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine (PubChem CID 115725520) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)oxan-3-amine
PubChem CID115725520
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)oxan-3-amine
SMILESCCSCCC(C)NC1CCCOC1
InChIInChI=1S/C11H23NOS/c1-3-14-8-6-10(2)12-11-5-4-7-13-9-11/h10-12H,3-9H2,1-2H3
InChIKeySTBXANUISCXMNU-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

(3R)-3-(oxan-3-ylamino)butan-1-ol
CID 103871769
N-(4-ethylsulfanylbutan-2-yl)thian-3-amine
CID 115882201
3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol
CID 107135741
N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106659050
N-[4-(furan-2-yl)butan-2-yl]oxan-3-amine
CID 63360149
N-methyl-3-(oxan-3-ylamino)butanamide
CID 115717949
(3S)-N-(1-cyclobutylethyl)oxan-3-amine
CID 130735135
3-(oxan-3-ylamino)pentan-1-ol
CID 115723074
N'-hydroxy-3-(oxan-3-ylamino)butanimidamide
CID 77028497
N-(3,3-dimethylbutan-2-yl)oxan-3-amine
CID 115717971
2-methyl-3-(oxan-3-ylamino)butan-1-ol
CID 115722841
N-(1-bromopropan-2-yl)oxolan-3-amine
CID 107859755

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine (CID 115725520) is N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine is CCSCCC(C)NC1CCCOC1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine?
The InChIKey is STBXANUISCXMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-14-8-6-10(2)12-11-5-4-7-13-9-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine?
N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine has a molecular weight of 217.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine is sourced from PubChem (CID 115725520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).