N-[1-(thiolan-3-yl)ethenyl]butan-2-amine

C10H19NS — CID 135173823

IUPACN-[1-(thiolan-3-yl)ethenyl]butan-2-amine
SMILESC=C(NC(C)CC)C1CCSC1
InChIInChI=1S/C10H19NS/c1-4-8(2)11-9(3)10-5-6-12-7-10/h8,10-11H,3-7H2,1-2H3
InChIKeyXPDZEKWUFVIDOM-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.64
Rot. Bonds4

About N-[1-(thiolan-3-yl)ethenyl]butan-2-amine

N-[1-(thiolan-3-yl)ethenyl]butan-2-amine (PubChem CID 135173823) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-[1-(thiolan-3-yl)ethenyl]butan-2-amine.

Molecular Properties

Compound NameN-[1-(thiolan-3-yl)ethenyl]butan-2-amine
PubChem CID135173823
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-[1-(thiolan-3-yl)ethenyl]butan-2-amine
SMILESC=C(NC(C)CC)C1CCSC1
InChIInChI=1S/C10H19NS/c1-4-8(2)11-9(3)10-5-6-12-7-10/h8,10-11H,3-7H2,1-2H3
InChIKeyXPDZEKWUFVIDOM-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(thiolan-3-yl)ethenyl]butan-2-amine?
The IUPAC name of N-[1-(thiolan-3-yl)ethenyl]butan-2-amine (CID 135173823) is N-[1-(thiolan-3-yl)ethenyl]butan-2-amine.
What is the SMILES notation for N-[1-(thiolan-3-yl)ethenyl]butan-2-amine?
The canonical SMILES for N-[1-(thiolan-3-yl)ethenyl]butan-2-amine is C=C(NC(C)CC)C1CCSC1.
What is the InChIKey of N-[1-(thiolan-3-yl)ethenyl]butan-2-amine?
The InChIKey is XPDZEKWUFVIDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-8(2)11-9(3)10-5-6-12-7-10/h8,10-11H,3-7H2,1-2H3.
What are the key properties of N-[1-(thiolan-3-yl)ethenyl]butan-2-amine?
N-[1-(thiolan-3-yl)ethenyl]butan-2-amine has a molecular weight of 185.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thiolan-3-yl)ethenyl]butan-2-amine is sourced from PubChem (CID 135173823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).