N-(5-methoxypentyl)thietan-3-amine

C9H19NOS — CID 135392195

IUPACN-(5-methoxypentyl)thietan-3-amine
SMILESCOCCCCCNC1CSC1
InChIInChI=1S/C9H19NOS/c1-11-6-4-2-3-5-10-9-7-12-8-9/h9-10H,2-8H2,1H3
InChIKeyBKDXKLKHQSNWLV-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.51
Rot. Bonds7

About N-(5-methoxypentyl)thietan-3-amine

N-(5-methoxypentyl)thietan-3-amine (PubChem CID 135392195) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-(5-methoxypentyl)thietan-3-amine.

Molecular Properties

Compound NameN-(5-methoxypentyl)thietan-3-amine
PubChem CID135392195
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-(5-methoxypentyl)thietan-3-amine
SMILESCOCCCCCNC1CSC1
InChIInChI=1S/C9H19NOS/c1-11-6-4-2-3-5-10-9-7-12-8-9/h9-10H,2-8H2,1H3
InChIKeyBKDXKLKHQSNWLV-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-methoxypentyl)thian-4-amine
CID 103631860
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-(4-methoxybutyl)-5-methylthiolan-3-amine
CID 79949134
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
CID 103698848
N-(5-methoxypentyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 113362658
N-(5-methoxy-4,4-dimethylpentyl)thietan-3-amine
CID 135393432
4-(thietan-3-ylamino)butan-1-ol
CID 126989809
N-(5-methoxypentyl)-1,5-dimethylpyrrolidin-3-amine
CID 115714830
N-(4-methoxybutyl)oxolan-3-amine
CID 63335646
N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755681
N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine
CID 103779816
N-(5-methoxypentyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 103779857

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)thietan-3-amine?
The IUPAC name of N-(5-methoxypentyl)thietan-3-amine (CID 135392195) is N-(5-methoxypentyl)thietan-3-amine.
What is the SMILES notation for N-(5-methoxypentyl)thietan-3-amine?
The canonical SMILES for N-(5-methoxypentyl)thietan-3-amine is COCCCCCNC1CSC1.
What is the InChIKey of N-(5-methoxypentyl)thietan-3-amine?
The InChIKey is BKDXKLKHQSNWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-11-6-4-2-3-5-10-9-7-12-8-9/h9-10H,2-8H2,1H3.
What are the key properties of N-(5-methoxypentyl)thietan-3-amine?
N-(5-methoxypentyl)thietan-3-amine has a molecular weight of 189.32 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)thietan-3-amine is sourced from PubChem (CID 135392195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).