(E)-1-methylsulfanyl-N-propylprop-1-en-2-amine

C7H15NS — CID 55286889

IUPAC(E)-1-methylsulfanyl-N-propylprop-1-en-2-amine
SMILESCCCN/C(C)=C/SC
InChIInChI=1S/C7H15NS/c1-4-5-8-7(2)6-9-3/h6,8H,4-5H2,1-3H3/b7-6+
InChIKeySKGXZDJDEJNXPZ-VOTSOKGWSA-N
MW145.27 g/mol
LogP2.21
Rot. Bonds4

About (E)-1-methylsulfanyl-N-propylprop-1-en-2-amine

(E)-1-methylsulfanyl-N-propylprop-1-en-2-amine (PubChem CID 55286889) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (E)-1-methylsulfanyl-N-propylprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-methylsulfanyl-N-propylprop-1-en-2-amine
PubChem CID55286889
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(E)-1-methylsulfanyl-N-propylprop-1-en-2-amine
SMILESCCCN/C(C)=C/SC
InChIInChI=1S/C7H15NS/c1-4-5-8-7(2)6-9-3/h6,8H,4-5H2,1-3H3/b7-6+
InChIKeySKGXZDJDEJNXPZ-VOTSOKGWSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-4-(2-methylpropylimino)-N-propylpent-2-en-2-amine
CID 166745355
(E)-1-(propylamino)but-1-en-1-ol
CID 167241993
2-methylsulfanyl-N-propylpropanamide
CID 131085433
1-(2-hydroxypropyl)-3-propylurea
CID 12876542
1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea
CID 115624328
12-oxo-N-propyltridecanamide
CID 135223938
N-[(Z)-2-methylsulfanyl-1-nitroethenyl]butan-1-amine
CID 88756396
2-oxo-N-propylpropanamide
CID 13291521
S-tert-butyl N-propylcarbamothioate
CID 130013101
methylsulfanyl N-propylcarbamate
CID 154454730
methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide
CID 159729828
(Z)-2-methyl-1-methylsulfanyloct-1-ene
CID 100956910

Frequently Asked Questions

What is the IUPAC name of (E)-1-methylsulfanyl-N-propylprop-1-en-2-amine?
The IUPAC name of (E)-1-methylsulfanyl-N-propylprop-1-en-2-amine (CID 55286889) is (E)-1-methylsulfanyl-N-propylprop-1-en-2-amine.
What is the SMILES notation for (E)-1-methylsulfanyl-N-propylprop-1-en-2-amine?
The canonical SMILES for (E)-1-methylsulfanyl-N-propylprop-1-en-2-amine is CCCN/C(C)=C/SC.
What is the InChIKey of (E)-1-methylsulfanyl-N-propylprop-1-en-2-amine?
The InChIKey is SKGXZDJDEJNXPZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-5-8-7(2)6-9-3/h6,8H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-1-methylsulfanyl-N-propylprop-1-en-2-amine?
(E)-1-methylsulfanyl-N-propylprop-1-en-2-amine has a molecular weight of 145.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methylsulfanyl-N-propylprop-1-en-2-amine is sourced from PubChem (CID 55286889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).