2-chloro-N-(thian-2-ylmethyl)prop-2-en-1-amine

C9H16ClNS — CID 80600403

IUPAC2-chloro-N-(thian-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCCCS1
InChIInChI=1S/C9H16ClNS/c1-8(10)6-11-7-9-4-2-3-5-12-9/h9,11H,1-7H2
InChIKeyWXGMBXIYPZXRLH-UHFFFAOYSA-N
MW205.75 g/mol
LogP2.61
Rot. Bonds4

About 2-chloro-N-(thian-2-ylmethyl)prop-2-en-1-amine

2-chloro-N-(thian-2-ylmethyl)prop-2-en-1-amine (PubChem CID 80600403) has the molecular formula C9H16ClNS and a molecular weight of 205.75 g/mol. Its IUPAC name is 2-chloro-N-(thian-2-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-(thian-2-ylmethyl)prop-2-en-1-amine
PubChem CID80600403
Molecular FormulaC9H16ClNS
Molecular Weight205.75 g/mol
Exact Mass205.07
IUPAC Name2-chloro-N-(thian-2-ylmethyl)prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCCCS1
InChIInChI=1S/C9H16ClNS/c1-8(10)6-11-7-9-4-2-3-5-12-9/h9,11H,1-7H2
InChIKeyWXGMBXIYPZXRLH-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.75
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(thian-2-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-(thian-2-ylmethyl)prop-2-en-1-amine (CID 80600403) is 2-chloro-N-(thian-2-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-(thian-2-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-(thian-2-ylmethyl)prop-2-en-1-amine is C=C(Cl)CNCC1CCCCS1.
What is the InChIKey of 2-chloro-N-(thian-2-ylmethyl)prop-2-en-1-amine?
The InChIKey is WXGMBXIYPZXRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNS/c1-8(10)6-11-7-9-4-2-3-5-12-9/h9,11H,1-7H2.
What are the key properties of 2-chloro-N-(thian-2-ylmethyl)prop-2-en-1-amine?
2-chloro-N-(thian-2-ylmethyl)prop-2-en-1-amine has a molecular weight of 205.75 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(thian-2-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 80600403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).