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

C8H15NS — CID 144589250

IUPACN-(thiolan-3-ylmethyl)prop-1-en-2-amine
SMILESC=C(C)NCC1CCSC1
InChIInChI=1S/C8H15NS/c1-7(2)9-5-8-3-4-10-6-8/h8-9H,1,3-6H2,2H3
InChIKeyYSGYAGANNDTWBV-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.86
Rot. Bonds3

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

N-(thiolan-3-ylmethyl)prop-1-en-2-amine (PubChem CID 144589250) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N-(thiolan-3-ylmethyl)prop-1-en-2-amine.

Molecular Properties

Compound NameN-(thiolan-3-ylmethyl)prop-1-en-2-amine
PubChem CID144589250
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN-(thiolan-3-ylmethyl)prop-1-en-2-amine
SMILESC=C(C)NCC1CCSC1
InChIInChI=1S/C8H15NS/c1-7(2)9-5-8-3-4-10-6-8/h8-9H,1,3-6H2,2H3
InChIKeyYSGYAGANNDTWBV-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 53770458
CID 53770458
CID 135173823
CID 135173823
CID 135229335
CID 135229335
CID 139504086
CID 139504086
CID 144589249
CID 144589249
CID 146536186
CID 146536186
CID 146609719
CID 146609719
CID 153346625
CID 153346625
CID 167287557
CID 167287557
CID 44181957
CID 44181957
CID 107132498
CID 107132498
CID 145428550
CID 145428550

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-ylmethyl)prop-1-en-2-amine?
The IUPAC name of N-(thiolan-3-ylmethyl)prop-1-en-2-amine (CID 144589250) is N-(thiolan-3-ylmethyl)prop-1-en-2-amine.
What is the SMILES notation for N-(thiolan-3-ylmethyl)prop-1-en-2-amine?
The canonical SMILES for N-(thiolan-3-ylmethyl)prop-1-en-2-amine is C=C(C)NCC1CCSC1.
What is the InChIKey of N-(thiolan-3-ylmethyl)prop-1-en-2-amine?
The InChIKey is YSGYAGANNDTWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-7(2)9-5-8-3-4-10-6-8/h8-9H,1,3-6H2,2H3.
What are the key properties of N-(thiolan-3-ylmethyl)prop-1-en-2-amine?
N-(thiolan-3-ylmethyl)prop-1-en-2-amine has a molecular weight of 157.28 g/mol, XLogP of 1.86, 3 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-1-en-2-amine is sourced from PubChem (CID 144589250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).