N-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine

C9H19NOS — CID 79333935

IUPACN-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine
SMILESCCNC(C)CCSC1COC1
InChIInChI=1S/C9H19NOS/c1-3-10-8(2)4-5-12-9-6-11-7-9/h8-10H,3-7H2,1-2H3
InChIKeyZBQJWABYFPWNRB-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.51
Rot. Bonds6

About N-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine

N-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine (PubChem CID 79333935) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine
PubChem CID79333935
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine
SMILESCCNC(C)CCSC1COC1
InChIInChI=1S/C9H19NOS/c1-3-10-8(2)4-5-12-9-6-11-7-9/h8-10H,3-7H2,1-2H3
InChIKeyZBQJWABYFPWNRB-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine?
The IUPAC name of N-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine (CID 79333935) is N-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine?
The canonical SMILES for N-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine is CCNC(C)CCSC1COC1.
What is the InChIKey of N-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine?
The InChIKey is ZBQJWABYFPWNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-3-10-8(2)4-5-12-9-6-11-7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine?
N-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine has a molecular weight of 189.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(oxetan-3-ylsulfanyl)butan-2-amine is sourced from PubChem (CID 79333935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).