N-(2-propoxyethyl)thiolan-3-amine

C9H19NOS — CID 106452650

IUPACN-(2-propoxyethyl)thiolan-3-amine
SMILESCCCOCCNC1CCSC1
InChIInChI=1S/C9H19NOS/c1-2-5-11-6-4-10-9-3-7-12-8-9/h9-10H,2-8H2,1H3
InChIKeyCGDPOLJGDSGCGZ-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.51
Rot. Bonds6

About N-(2-propoxyethyl)thiolan-3-amine

N-(2-propoxyethyl)thiolan-3-amine (PubChem CID 106452650) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-(2-propoxyethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-propoxyethyl)thiolan-3-amine
PubChem CID106452650
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-(2-propoxyethyl)thiolan-3-amine
SMILESCCCOCCNC1CCSC1
InChIInChI=1S/C9H19NOS/c1-2-5-11-6-4-10-9-3-7-12-8-9/h9-10H,2-8H2,1H3
InChIKeyCGDPOLJGDSGCGZ-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

Computed Properties (RDKit)

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

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Related Compounds

N-pentylthiolan-3-amine
CID 43177655
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
2-[2-[[(3S)-thian-3-yl]amino]ethoxy]ethanol
CID 94885835
N-(2-but-3-enoxyethyl)thian-4-amine
CID 115770559
N-[2-(oxolan-3-ylmethoxy)ethyl]thiolan-3-amine
CID 115718470
1-octoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103062780
N-[(4-methylcyclohexyl)methyl]thiolan-3-amine
CID 63242851
N-(2,2-dimethoxyethyl)thiolan-3-amine
CID 60663265
1-ethoxy-3-(thiolan-3-ylamino)propan-2-ol
CID 103785705
N-[(4-propoxyphenyl)methyl]thiolan-3-amine
CID 103701552
N-[4-(2-propoxyethoxy)butyl]cyclopropanamine
CID 63686428
N-(2-methoxyethyl)thian-4-amine;hydrochloride
CID 86811713

Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyethyl)thiolan-3-amine?
The IUPAC name of N-(2-propoxyethyl)thiolan-3-amine (CID 106452650) is N-(2-propoxyethyl)thiolan-3-amine.
What is the SMILES notation for N-(2-propoxyethyl)thiolan-3-amine?
The canonical SMILES for N-(2-propoxyethyl)thiolan-3-amine is CCCOCCNC1CCSC1.
What is the InChIKey of N-(2-propoxyethyl)thiolan-3-amine?
The InChIKey is CGDPOLJGDSGCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-2-5-11-6-4-10-9-3-7-12-8-9/h9-10H,2-8H2,1H3.
What are the key properties of N-(2-propoxyethyl)thiolan-3-amine?
N-(2-propoxyethyl)thiolan-3-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-(2-propoxyethyl)thiolan-3-amine is sourced from PubChem (CID 106452650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).