N-(dithiophen-2-ylmethyl)thian-4-amine

C14H17NS3 — CID 115641775

IUPACN-(dithiophen-2-ylmethyl)thian-4-amine
SMILESc1csc(C(NC2CCSCC2)c2cccs2)c1
InChIInChI=1S/C14H17NS3/c1-3-12(17-7-1)14(13-4-2-8-18-13)15-11-5-9-16-10-6-11/h1-4,7-8,11,14-15H,5-6,9-10H2
InChIKeyUPTYHLGXZZIBDS-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.38
Rot. Bonds4

About N-(dithiophen-2-ylmethyl)thian-4-amine

N-(dithiophen-2-ylmethyl)thian-4-amine (PubChem CID 115641775) has the molecular formula C14H17NS3 and a molecular weight of 295.50 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)thian-4-amine.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)thian-4-amine
PubChem CID115641775
Molecular FormulaC14H17NS3
Molecular Weight295.50 g/mol
Exact Mass295.05
IUPAC NameN-(dithiophen-2-ylmethyl)thian-4-amine
SMILESc1csc(C(NC2CCSCC2)c2cccs2)c1
InChIInChI=1S/C14H17NS3/c1-3-12(17-7-1)14(13-4-2-8-18-13)15-11-5-9-16-10-6-11/h1-4,7-8,11,14-15H,5-6,9-10H2
InChIKeyUPTYHLGXZZIBDS-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(dithiophen-2-ylmethyl)cyclopentanamine
CID 43756506
N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine
CID 115576085
4-(dithiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43761720
N-(dithiophen-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64733837
N-[phenyl(thiophen-2-yl)methyl]thian-3-amine
CID 62873455
N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine
CID 51921587
1-methyl-N-[phenyl(thiophen-2-yl)methyl]piperidin-4-amine
CID 43224396
4-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 43193909
2-(thian-4-yl)-1-thiophen-2-ylethanol
CID 105079885
N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine
CID 103930732
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)thian-4-amine?
The IUPAC name of N-(dithiophen-2-ylmethyl)thian-4-amine (CID 115641775) is N-(dithiophen-2-ylmethyl)thian-4-amine.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)thian-4-amine?
The canonical SMILES for N-(dithiophen-2-ylmethyl)thian-4-amine is c1csc(C(NC2CCSCC2)c2cccs2)c1.
What is the InChIKey of N-(dithiophen-2-ylmethyl)thian-4-amine?
The InChIKey is UPTYHLGXZZIBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS3/c1-3-12(17-7-1)14(13-4-2-8-18-13)15-11-5-9-16-10-6-11/h1-4,7-8,11,14-15H,5-6,9-10H2.
What are the key properties of N-(dithiophen-2-ylmethyl)thian-4-amine?
N-(dithiophen-2-ylmethyl)thian-4-amine has a molecular weight of 295.50 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dithiophen-2-ylmethyl)thian-4-amine is sourced from PubChem (CID 115641775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).