2-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine

C8H14ClNS — CID 106428205

IUPAC2-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine
SMILESC=CCSCCNCC(=C)Cl
InChIInChI=1S/C8H14ClNS/c1-3-5-11-6-4-10-7-8(2)9/h3,10H,1-2,4-7H2
InChIKeyFSZUNBVJDNKDBU-UHFFFAOYSA-N
MW191.73 g/mol
LogP2.25
Rot. Bonds7

About 2-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine

2-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine (PubChem CID 106428205) has the molecular formula C8H14ClNS and a molecular weight of 191.73 g/mol. Its IUPAC name is 2-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine
PubChem CID106428205
Molecular FormulaC8H14ClNS
Molecular Weight191.73 g/mol
Exact Mass191.05
IUPAC Name2-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine
SMILESC=CCSCCNCC(=C)Cl
InChIInChI=1S/C8H14ClNS/c1-3-5-11-6-4-10-7-8(2)9/h3,10H,1-2,4-7H2
InChIKeyFSZUNBVJDNKDBU-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.73
LogP ≤ 52.25
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-(2-ethylsulfanylethyl)prop-2-en-1-amine
CID 62576296
(Z)-3-(1-chloroethylsulfanyl)-N-ethylprop-2-en-1-amine
CID 146299872
2-chloro-N-(2-methylsulfanylethyl)prop-2-en-1-amine
CID 60695410
N-(2-propan-2-ylsulfanylethyl)prop-2-en-1-amine
CID 62579109
2-chloro-N-(3-ethylsulfanylpropyl)prop-2-en-1-amine
CID 104081934
2-chloro-N-(2-ethylsulfanylethyl)prop-2-en-1-amine
CID 104668774
N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine
CID 106427661
(E)-2,3-dichloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine
CID 106427676
(E)-4-chloro-N-(2-prop-2-enylsulfanylethyl)but-2-en-1-amine
CID 106427727
(E)-3-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine
CID 106427788
(E)-4-chloro-N-(2-prop-2-ynylsulfanylethyl)but-2-en-1-amine
CID 106428580
(E)-3-chloro-N-(2-prop-2-ynylsulfanylethyl)prop-2-en-1-amine
CID 106428630

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine (CID 106428205) is 2-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine is C=CCSCCNCC(=C)Cl.
What is the InChIKey of 2-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine?
The InChIKey is FSZUNBVJDNKDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNS/c1-3-5-11-6-4-10-7-8(2)9/h3,10H,1-2,4-7H2.
What are the key properties of 2-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine?
2-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine has a molecular weight of 191.73 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-prop-2-enylsulfanylethyl)prop-2-en-1-amine is sourced from PubChem (CID 106428205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).