3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine

C8H12ClNS2 — CID 117032644

IUPAC3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine
SMILESCNCCCSc1ccc(Cl)s1
InChIInChI=1S/C8H12ClNS2/c1-10-5-2-6-11-8-4-3-7(9)12-8/h3-4,10H,2,5-6H2,1H3
InChIKeyLXVJUGVXVZJOSE-UHFFFAOYSA-N
MW221.78 g/mol
LogP3.10
Rot. Bonds5

About 3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine

3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine (PubChem CID 117032644) has the molecular formula C8H12ClNS2 and a molecular weight of 221.78 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine
PubChem CID117032644
Molecular FormulaC8H12ClNS2
Molecular Weight221.78 g/mol
Exact Mass221.01
IUPAC Name3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine
SMILESCNCCCSc1ccc(Cl)s1
InChIInChI=1S/C8H12ClNS2/c1-10-5-2-6-11-8-4-3-7(9)12-8/h3-4,10H,2,5-6H2,1H3
InChIKeyLXVJUGVXVZJOSE-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.78
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-ethylsulfanylthiophene
CID 55269590
2-(5-bromothiophen-2-yl)sulfanyl-N-methylethanamine
CID 117032570
N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine
CID 115201788
methyl 2-(5-chlorothiophen-2-yl)sulfanylacetate
CID 117033998
4-(4-chlorophenyl)sulfanyl-N-methylbutan-1-amine
CID 62583689
5-chloro-2-[3-(methylamino)propylsulfanyl]aniline
CID 106318307
3-(2,4-dimethylphenyl)sulfanyl-N-methylpropan-1-amine
CID 61385958
N-[(5-chlorothiophen-2-yl)sulfanylmethyl]cyclopropanamine
CID 117032952
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114142728
bis(5-butylsulfanylthiophen-2-yl)iodanium
CID 154075831
2-chloro-5-(ethyldisulfanyl)thiophene
CID 91117303
S-(5-chlorothiophen-2-yl)thiohydroxylamine
CID 88928706

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine (CID 117032644) is 3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine is CNCCCSc1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine?
The InChIKey is LXVJUGVXVZJOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNS2/c1-10-5-2-6-11-8-4-3-7(9)12-8/h3-4,10H,2,5-6H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine?
3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine has a molecular weight of 221.78 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)sulfanyl-N-methylpropan-1-amine is sourced from PubChem (CID 117032644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).