N-methyl-3-methylsulfanylprop-1-en-2-amine

C5H11NS — CID 20609271

IUPACN-methyl-3-methylsulfanylprop-1-en-2-amine
SMILESC=C(CSC)NC
InChIInChI=1S/C5H11NS/c1-5(6-2)4-7-3/h6H,1,4H2,2-3H3
InChIKeyDZSPBPOJBVXGLU-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.08
Rot. Bonds3

About N-methyl-3-methylsulfanylprop-1-en-2-amine

N-methyl-3-methylsulfanylprop-1-en-2-amine (PubChem CID 20609271) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is N-methyl-3-methylsulfanylprop-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfanylprop-1-en-2-amine
PubChem CID20609271
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC NameN-methyl-3-methylsulfanylprop-1-en-2-amine
SMILESC=C(CSC)NC
InChIInChI=1S/C5H11NS/c1-5(6-2)4-7-3/h6H,1,4H2,2-3H3
InChIKeyDZSPBPOJBVXGLU-UHFFFAOYSA-N
XLogP1.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-2,3-dihydrothiazole
CID 14942816
2-(Methylamino)prop-2-enyl thiohypofluorite
CID 138631742
[(Z)-2-(methylamino)prop-1-enyl] thiohypofluorite
CID 139439204
2,4-Dimethyl-2,3-dihydro-1,3-thiazole
CID 22103430
2,3-dimethyl-4H-1,4-thiazine
CID 23559727
N-(tert-butylsulfanylmethyl)prop-1-en-2-amine
CID 59809222
5-methyl-3,4-dihydro-2H-1,4-thiazine
CID 68099601
2-Ethyl-4-methyl-2,3-dihydro-1,3-thiazole
CID 85675405
[5-(sulfanylmethyl)-4H-1,4-thiazin-2-yl]methanethiol
CID 87637215
(Z)-2-(methylamino)prop-1-ene-1-thiol
CID 87767509
N-methyl-4-methylsulfanylbut-1-en-2-amine
CID 88219564
(Z)-1-prop-1-en-2-ylsulfanylprop-1-en-2-amine
CID 88285558

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfanylprop-1-en-2-amine?
The IUPAC name of N-methyl-3-methylsulfanylprop-1-en-2-amine (CID 20609271) is N-methyl-3-methylsulfanylprop-1-en-2-amine.
What is the SMILES notation for N-methyl-3-methylsulfanylprop-1-en-2-amine?
The canonical SMILES for N-methyl-3-methylsulfanylprop-1-en-2-amine is C=C(CSC)NC.
What is the InChIKey of N-methyl-3-methylsulfanylprop-1-en-2-amine?
The InChIKey is DZSPBPOJBVXGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-5(6-2)4-7-3/h6H,1,4H2,2-3H3.
What are the key properties of N-methyl-3-methylsulfanylprop-1-en-2-amine?
N-methyl-3-methylsulfanylprop-1-en-2-amine has a molecular weight of 117.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfanylprop-1-en-2-amine is sourced from PubChem (CID 20609271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).