1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine

C11H23NOS — CID 66227798

IUPAC1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine
SMILESCCC(N)CSCCCC1CCCO1
InChIInChI=1S/C11H23NOS/c1-2-10(12)9-14-8-4-6-11-5-3-7-13-11/h10-11H,2-9,12H2,1H3
InChIKeyUANTXRDMUSVXIL-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.42
Rot. Bonds7

About 1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine

1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine (PubChem CID 66227798) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine
PubChem CID66227798
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine
SMILESCCC(N)CSCCCC1CCCO1
InChIInChI=1S/C11H23NOS/c1-2-10(12)9-14-8-4-6-11-5-3-7-13-11/h10-11H,2-9,12H2,1H3
InChIKeyUANTXRDMUSVXIL-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 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 ≤ 52.42
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

2-methyl-3-[3-(oxolan-2-yl)propylsulfanyl]propan-1-amine
CID 66224560
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
CID 57157104
3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine
CID 66218560
1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164455
2-(10-ethylsulfanyldecyl)oxane
CID 23326782
2-(14-hexylsulfanyltetradecyl)oxane
CID 23326746
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
[1-ethylsulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105225409
3-[3-(oxolan-2-yl)propylsulfanyl]butan-1-amine
CID 66228404
2-tetradecyloxolane
CID 10683364
2-(5-bromoheptyl)oxolane
CID 65166211

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine?
The IUPAC name of 1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine (CID 66227798) is 1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine?
The canonical SMILES for 1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine is CCC(N)CSCCCC1CCCO1.
What is the InChIKey of 1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine?
The InChIKey is UANTXRDMUSVXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-2-10(12)9-14-8-4-6-11-5-3-7-13-11/h10-11H,2-9,12H2,1H3.
What are the key properties of 1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine?
1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine has a molecular weight of 217.38 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine is sourced from PubChem (CID 66227798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).