N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine

C13H19NS2 — CID 115576085

IUPACN-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine
SMILESc1csc(C(NC2CCSCC2)C2CC2)c1
InChIInChI=1S/C13H19NS2/c1-2-12(16-7-1)13(10-3-4-10)14-11-5-8-15-9-6-11/h1-2,7,10-11,13-14H,3-6,8-9H2
InChIKeyDDXRBZZJDYYNGK-UHFFFAOYSA-N
MW253.44 g/mol
LogP3.68
Rot. Bonds4

About N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine

N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine (PubChem CID 115576085) has the molecular formula C13H19NS2 and a molecular weight of 253.44 g/mol. Its IUPAC name is N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine.

Molecular Properties

Compound NameN-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine
PubChem CID115576085
Molecular FormulaC13H19NS2
Molecular Weight253.44 g/mol
Exact Mass253.10
IUPAC NameN-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine
SMILESc1csc(C(NC2CCSCC2)C2CC2)c1
InChIInChI=1S/C13H19NS2/c1-2-12(16-7-1)13(10-3-4-10)14-11-5-8-15-9-6-11/h1-2,7,10-11,13-14H,3-6,8-9H2
InChIKeyDDXRBZZJDYYNGK-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine
CID 51921587
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 55062292
N-(dithiophen-2-ylmethyl)thian-4-amine
CID 115641775
N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine
CID 103981438
N-[cyclopentyl(thiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 43740557
N-[cyclopropyl(thiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 113350069
N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine
CID 79942468
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-[cyclopropyl(thiophen-2-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 103926276
N-[cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 61462402
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine?
The IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine (CID 115576085) is N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine.
What is the SMILES notation for N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine?
The canonical SMILES for N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine is c1csc(C(NC2CCSCC2)C2CC2)c1.
What is the InChIKey of N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine?
The InChIKey is DDXRBZZJDYYNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS2/c1-2-12(16-7-1)13(10-3-4-10)14-11-5-8-15-9-6-11/h1-2,7,10-11,13-14H,3-6,8-9H2.
What are the key properties of N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine?
N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine has a molecular weight of 253.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine is sourced from PubChem (CID 115576085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).