3-(aminomethyl)-N-prop-2-enylthiolan-3-amine

C8H16N2S — CID 65383874

IUPAC3-(aminomethyl)-N-prop-2-enylthiolan-3-amine
SMILESC=CCNC1(CN)CCSC1
InChIInChI=1S/C8H16N2S/c1-2-4-10-8(6-9)3-5-11-7-8/h2,10H,1,3-7,9H2
InChIKeySWZFEODHOOTXLM-UHFFFAOYSA-N
MW172.30 g/mol
LogP0.60
Rot. Bonds4

About 3-(aminomethyl)-N-prop-2-enylthiolan-3-amine

3-(aminomethyl)-N-prop-2-enylthiolan-3-amine (PubChem CID 65383874) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-prop-2-enylthiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-prop-2-enylthiolan-3-amine
PubChem CID65383874
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name3-(aminomethyl)-N-prop-2-enylthiolan-3-amine
SMILESC=CCNC1(CN)CCSC1
InChIInChI=1S/C8H16N2S/c1-2-4-10-8(6-9)3-5-11-7-8/h2,10H,1,3-7,9H2
InChIKeySWZFEODHOOTXLM-UHFFFAOYSA-N
XLogP0.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-prop-2-enylthiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-prop-2-enylthiolan-3-amine (CID 65383874) is 3-(aminomethyl)-N-prop-2-enylthiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-prop-2-enylthiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-prop-2-enylthiolan-3-amine is C=CCNC1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-prop-2-enylthiolan-3-amine?
The InChIKey is SWZFEODHOOTXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-2-4-10-8(6-9)3-5-11-7-8/h2,10H,1,3-7,9H2.
What are the key properties of 3-(aminomethyl)-N-prop-2-enylthiolan-3-amine?
3-(aminomethyl)-N-prop-2-enylthiolan-3-amine has a molecular weight of 172.30 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-prop-2-enylthiolan-3-amine is sourced from PubChem (CID 65383874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).