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

C10H21NS — CID 144589249

IUPACethane;N-(thiolan-3-ylmethyl)prop-1-en-2-amine
SMILESC=C(C)NCC1CCSC1.CC
InChIInChI=1S/C8H15NS.C2H6/c1-7(2)9-5-8-3-4-10-6-8;1-2/h8-9H,1,3-6H2,2H3;1-2H3
InChIKeyXMUDWDYTGCUERE-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.89
Rot. Bonds3

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

ethane;N-(thiolan-3-ylmethyl)prop-1-en-2-amine (PubChem CID 144589249) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is ethane;N-(thiolan-3-ylmethyl)prop-1-en-2-amine.

Molecular Properties

Compound Nameethane;N-(thiolan-3-ylmethyl)prop-1-en-2-amine
PubChem CID144589249
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Nameethane;N-(thiolan-3-ylmethyl)prop-1-en-2-amine
SMILESC=C(C)NCC1CCSC1.CC
InChIInChI=1S/C8H15NS.C2H6/c1-7(2)9-5-8-3-4-10-6-8;1-2/h8-9H,1,3-6H2,2H3;1-2H3
InChIKeyXMUDWDYTGCUERE-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(thiolan-3-ylmethyl)prop-1-en-2-amine?
The IUPAC name of ethane;N-(thiolan-3-ylmethyl)prop-1-en-2-amine (CID 144589249) is ethane;N-(thiolan-3-ylmethyl)prop-1-en-2-amine.
What is the SMILES notation for ethane;N-(thiolan-3-ylmethyl)prop-1-en-2-amine?
The canonical SMILES for ethane;N-(thiolan-3-ylmethyl)prop-1-en-2-amine is C=C(C)NCC1CCSC1.CC.
What is the InChIKey of ethane;N-(thiolan-3-ylmethyl)prop-1-en-2-amine?
The InChIKey is XMUDWDYTGCUERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS.C2H6/c1-7(2)9-5-8-3-4-10-6-8;1-2/h8-9H,1,3-6H2,2H3;1-2H3.
What are the key properties of ethane;N-(thiolan-3-ylmethyl)prop-1-en-2-amine?
ethane;N-(thiolan-3-ylmethyl)prop-1-en-2-amine has a molecular weight of 187.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(thiolan-3-ylmethyl)prop-1-en-2-amine is sourced from PubChem (CID 144589249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).