N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine

C12H19NOS2 — CID 64650951

IUPACN-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine
SMILESCCCNC(CS(=O)c1cccs1)C1CC1
InChIInChI=1S/C12H19NOS2/c1-2-7-13-11(10-5-6-10)9-16(14)12-4-3-8-15-12/h3-4,8,10-11,13H,2,5-7,9H2,1H3
InChIKeyNWDJKQDYBIJOHY-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.63
Rot. Bonds7

About N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine

N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine (PubChem CID 64650951) has the molecular formula C12H19NOS2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine
PubChem CID64650951
Molecular FormulaC12H19NOS2
Molecular Weight257.42 g/mol
Exact Mass257.09
IUPAC NameN-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine
SMILESCCCNC(CS(=O)c1cccs1)C1CC1
InChIInChI=1S/C12H19NOS2/c1-2-7-13-11(10-5-6-10)9-16(14)12-4-3-8-15-12/h3-4,8,10-11,13H,2,5-7,9H2,1H3
InChIKeyNWDJKQDYBIJOHY-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxolan-3-yl)-2-thiophen-2-ylsulfinylethyl]propan-1-amine
CID 113449399
N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
CID 64653330
N-[1-(4-propan-2-ylcyclohexyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 65424402
N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
CID 64659173
N-(1-cyclopentyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61064990
N-(1-cyclohexyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61066233
N-[1-(3-methylcyclopentyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 65412770
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
CID 104754748
N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754287
N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754297
N-ethyl-3,3-dimethyl-1-thiophen-2-ylsulfinylbutan-2-amine
CID 64653627

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine?
The IUPAC name of N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine (CID 64650951) is N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine.
What is the SMILES notation for N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine?
The canonical SMILES for N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine is CCCNC(CS(=O)c1cccs1)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine?
The InChIKey is NWDJKQDYBIJOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS2/c1-2-7-13-11(10-5-6-10)9-16(14)12-4-3-8-15-12/h3-4,8,10-11,13H,2,5-7,9H2,1H3.
What are the key properties of N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine?
N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine is sourced from PubChem (CID 64650951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).