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

C7H15NS — CID 139470205

IUPACN-methyl-3-methylsulfanylpent-1-en-2-amine
SMILESC=C(NC)C(CC)SC
InChIInChI=1S/C7H15NS/c1-5-7(9-4)6(2)8-3/h7-8H,2,5H2,1,3-4H3
InChIKeyZPCSTTCLDBKIBV-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.86
Rot. Bonds4

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

N-methyl-3-methylsulfanylpent-1-en-2-amine (PubChem CID 139470205) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N-methyl-3-methylsulfanylpent-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfanylpent-1-en-2-amine
PubChem CID139470205
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN-methyl-3-methylsulfanylpent-1-en-2-amine
SMILESC=C(NC)C(CC)SC
InChIInChI=1S/C7H15NS/c1-5-7(9-4)6(2)8-3/h7-8H,2,5H2,1,3-4H3
InChIKeyZPCSTTCLDBKIBV-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-methylsulfanylprop-1-en-2-amine
CID 20609271
4-(Methylamino)pent-4-ene-1-thiol
CID 58262283
(3S)-3-N-methyl-5-methylsulfanylpent-1-ene-2,3-diamine
CID 87925295
N-methyl-4-methylsulfinylbut-1-en-2-amine
CID 88219510
N-methyl-4-methylsulfanylbut-1-en-2-amine
CID 88219564
(Z)-2-(methylamino)but-1-ene-1-thiol
CID 88978512
(3S)-2-N-methyl-5-methylsulfanylpent-1-ene-2,3-diamine
CID 89278769
N,5-dimethyl-3-methylsulfanylhexa-1,5-dien-2-amine
CID 126659234
N-methyl-1-(thiolan-2-yl)ethenamine
CID 129141689
(Z)-N-methyl-1-propan-2-ylsulfanylprop-1-en-2-amine
CID 130374445
4-(Methylamino)pent-4-ene-2-thione
CID 132148946
5-(Methylamino)hex-5-ene-2-thiol
CID 134365108

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfanylpent-1-en-2-amine?
The IUPAC name of N-methyl-3-methylsulfanylpent-1-en-2-amine (CID 139470205) is N-methyl-3-methylsulfanylpent-1-en-2-amine.
What is the SMILES notation for N-methyl-3-methylsulfanylpent-1-en-2-amine?
The canonical SMILES for N-methyl-3-methylsulfanylpent-1-en-2-amine is C=C(NC)C(CC)SC.
What is the InChIKey of N-methyl-3-methylsulfanylpent-1-en-2-amine?
The InChIKey is ZPCSTTCLDBKIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-5-7(9-4)6(2)8-3/h7-8H,2,5H2,1,3-4H3.
What are the key properties of N-methyl-3-methylsulfanylpent-1-en-2-amine?
N-methyl-3-methylsulfanylpent-1-en-2-amine has a molecular weight of 145.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfanylpent-1-en-2-amine is sourced from PubChem (CID 139470205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).