N-(thiolan-3-ylmethyl)prop-2-en-1-amine

C8H15NS — CID 107131108

IUPACN-(thiolan-3-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCC1CCSC1
InChIInChI=1S/C8H15NS/c1-2-4-9-6-8-3-5-10-7-8/h2,8-9H,1,3-7H2
InChIKeyXVBWJUQTSJGNON-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.52
Rot. Bonds4

About N-(thiolan-3-ylmethyl)prop-2-en-1-amine

N-(thiolan-3-ylmethyl)prop-2-en-1-amine (PubChem CID 107131108) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N-(thiolan-3-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(thiolan-3-ylmethyl)prop-2-en-1-amine
PubChem CID107131108
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN-(thiolan-3-ylmethyl)prop-2-en-1-amine
SMILESC=CCNCC1CCSC1
InChIInChI=1S/C8H15NS/c1-2-4-9-6-8-3-5-10-7-8/h2,8-9H,1,3-7H2
InChIKeyXVBWJUQTSJGNON-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enylthiolan-3-amine
CID 43177042
2-Pent-1-en-3-yl-1,3-thiazolidine
CID 13901686
N-[(1,1-dioxothiolan-3-yl)methyl]prop-2-en-1-amine
CID 62140692
2-(2-methylpropylsulfanyl)-N-prop-2-enylpropan-1-amine
CID 62577354
N-[2-(2-methylpropylsulfanyl)ethyl]prop-2-en-1-amine
CID 62578848
2-methyl-3-methylsulfanyl-N-prop-2-enylpropan-1-amine
CID 63965833
3-(aminomethyl)-N-prop-2-enylthiolan-3-amine
CID 65383874
5-methyl-N-prop-2-enylthiolan-3-amine
CID 79942688
N-(thiolan-2-ylmethyl)prop-2-en-1-amine
CID 80585580
N-[(2-methylthiolan-2-yl)methyl]prop-2-en-1-amine
CID 80723238
3-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 103578602
2-methyl-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 103897032

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-ylmethyl)prop-2-en-1-amine?
The IUPAC name of N-(thiolan-3-ylmethyl)prop-2-en-1-amine (CID 107131108) is N-(thiolan-3-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(thiolan-3-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-(thiolan-3-ylmethyl)prop-2-en-1-amine is C=CCNCC1CCSC1.
What is the InChIKey of N-(thiolan-3-ylmethyl)prop-2-en-1-amine?
The InChIKey is XVBWJUQTSJGNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-4-9-6-8-3-5-10-7-8/h2,8-9H,1,3-7H2.
What are the key properties of N-(thiolan-3-ylmethyl)prop-2-en-1-amine?
N-(thiolan-3-ylmethyl)prop-2-en-1-amine has a molecular weight of 157.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 107131108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).