N-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine

C9H15NS2 — CID 170237475

IUPACN-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine
SMILESC=C(CC1CC(SC)=CS1)NC
InChIInChI=1S/C9H15NS2/c1-7(10-2)4-8-5-9(11-3)6-12-8/h6,8,10H,1,4-5H2,2-3H3
InChIKeyADPAWSZASGRZDN-UHFFFAOYSA-N
MW201.36 g/mol
LogP2.82
Rot. Bonds4

About N-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine

N-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine (PubChem CID 170237475) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is N-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine
PubChem CID170237475
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC NameN-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine
SMILESC=C(CC1CC(SC)=CS1)NC
InChIInChI=1S/C9H15NS2/c1-7(10-2)4-8-5-9(11-3)6-12-8/h6,8,10H,1,4-5H2,2-3H3
InChIKeyADPAWSZASGRZDN-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-3-methylsulfanylhexa-1,5-dien-2-amine
CID 126659234
N-methyl-1-(thiolan-2-yl)ethenamine
CID 129141689
5-(Methylamino)hex-5-ene-2-thiol
CID 134365108
N-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine
CID 138478273
6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine
CID 138630950
N-methyl-3-methylsulfanylpent-1-en-2-amine
CID 139470205
(Z)-N-methyl-1-propylsulfanylbut-1-en-2-amine
CID 142925921
4-Propyl-2,3-dihydro-1,3-thiazole
CID 143008225
ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine
CID 143646681
ethane;N-(3-methylsulfanylpropyl)pent-1-en-2-amine
CID 155726328
Methanamine;4-(methylamino)pent-4-ene-1-thiol;2-methylidenethiolane
CID 161288691
N-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine
CID 167303338

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine?
The IUPAC name of N-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine (CID 170237475) is N-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine.
What is the SMILES notation for N-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine?
The canonical SMILES for N-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine is C=C(CC1CC(SC)=CS1)NC.
What is the InChIKey of N-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine?
The InChIKey is ADPAWSZASGRZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-7(10-2)4-8-5-9(11-3)6-12-8/h6,8,10H,1,4-5H2,2-3H3.
What are the key properties of N-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine?
N-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine has a molecular weight of 201.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine is sourced from PubChem (CID 170237475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).