N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine

C12H21NS2 — CID 65131658

IUPACN-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine
SMILESCNC(CCc1cccs1)CSC(C)C
InChIInChI=1S/C12H21NS2/c1-10(2)15-9-11(13-3)6-7-12-5-4-8-14-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3
InChIKeyTZVLLMODWZWBJB-UHFFFAOYSA-N
MW243.44 g/mol
LogP3.41
Rot. Bonds7

About N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine

N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 65131658) has the molecular formula C12H21NS2 and a molecular weight of 243.44 g/mol. Its IUPAC name is N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine
PubChem CID65131658
Molecular FormulaC12H21NS2
Molecular Weight243.44 g/mol
Exact Mass243.11
IUPAC NameN-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine
SMILESCNC(CCc1cccs1)CSC(C)C
InChIInChI=1S/C12H21NS2/c1-10(2)15-9-11(13-3)6-7-12-5-4-8-14-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3
InChIKeyTZVLLMODWZWBJB-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-thiophen-2-yldodecan-3-amine
CID 115860959
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
(1-butan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-yl)hydrazine
CID 105227079
N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine
CID 105150151
N-methyl-1-propoxy-5-thiophen-2-ylpentan-3-amine
CID 105150190
1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 103168696
N,4-dimethyl-6-thiophen-2-ylhexan-2-amine
CID 64720964
N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128461
N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
CID 105094221
N-methyl-2-propan-2-ylsulfanyl-1-thiophen-2-ylethanamine
CID 65131483
N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine
CID 103986936
N-ethyl-1-propylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128746

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine (CID 65131658) is N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine is CNC(CCc1cccs1)CSC(C)C.
What is the InChIKey of N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is TZVLLMODWZWBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS2/c1-10(2)15-9-11(13-3)6-7-12-5-4-8-14-12/h4-5,8,10-11,13H,6-7,9H2,1-3H3.
What are the key properties of N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine?
N-methyl-1-propan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-amine has a molecular weight of 243.44 g/mol, XLogP of 3.41, 7 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-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 65131658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).