N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine

C11H19NS2 — CID 65132227

IUPACN-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine
SMILESCNC(CSC(C)C)Cc1ccsc1
InChIInChI=1S/C11H19NS2/c1-9(2)14-8-11(12-3)6-10-4-5-13-7-10/h4-5,7,9,11-12H,6,8H2,1-3H3
InChIKeyDDLFMMOREBWPRV-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.02
Rot. Bonds6

About N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine

N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine (PubChem CID 65132227) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine
PubChem CID65132227
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC NameN-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine
SMILESCNC(CSC(C)C)Cc1ccsc1
InChIInChI=1S/C11H19NS2/c1-9(2)14-8-11(12-3)6-10-4-5-13-7-10/h4-5,7,9,11-12H,6,8H2,1-3H3
InChIKeyDDLFMMOREBWPRV-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-methylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 62694241
1-(3-fluorophenyl)sulfanyl-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 66072076
2-(methylamino)-3-thiophen-3-ylpropane-1-sulfonic acid
CID 87095543
N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
CID 61078547
1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 103516544
1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 62604150
N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105154784
1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 55095443
N-methyl-1-pyridin-2-yl-3-thiophen-3-ylpropan-2-amine
CID 62601722
N-methyl-1-(thian-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105137524
1-(3-bromophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131430
3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 64542223

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine (CID 65132227) is N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine is CNC(CSC(C)C)Cc1ccsc1.
What is the InChIKey of N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine?
The InChIKey is DDLFMMOREBWPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-9(2)14-8-11(12-3)6-10-4-5-13-7-10/h4-5,7,9,11-12H,6,8H2,1-3H3.
What are the key properties of N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine?
N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine has a molecular weight of 229.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 65132227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).