N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine

C10H16ClNO2S2 — CID 106046353

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCCNCCc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNO2S2/c1-16(13,14)8-2-6-12-7-5-9-3-4-10(11)15-9/h3-4,12H,2,5-8H2,1H3
InChIKeyUQQYDNMRNQKSAB-UHFFFAOYSA-N
MW281.83 g/mol
LogP1.97
Rot. Bonds7

About N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine (PubChem CID 106046353) has the molecular formula C10H16ClNO2S2 and a molecular weight of 281.83 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine
PubChem CID106046353
Molecular FormulaC10H16ClNO2S2
Molecular Weight281.83 g/mol
Exact Mass281.03
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCCNCCc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNO2S2/c1-16(13,14)8-2-6-12-7-5-9-3-4-10(11)15-9/h3-4,12H,2,5-8H2,1H3
InChIKeyUQQYDNMRNQKSAB-UHFFFAOYSA-N
XLogP1.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 114140350
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylpentan-1-amine
CID 102671613
3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide
CID 60545455
5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol
CID 106046424
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethoxypropan-1-amine
CID 106046471
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]propane-1-sulfonamide
CID 106041745
tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]propyl]carbamate
CID 107094658
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(methylamino)butane-1-sulfonamide
CID 114142728
N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 106046261
ethyl 6-[2-(5-chlorothiophen-2-yl)ethylamino]hexanoate
CID 106036708
N-(2-butoxyethyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 106046388
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 114140354

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine (CID 106046353) is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine is CS(=O)(=O)CCCNCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine?
The InChIKey is UQQYDNMRNQKSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2S2/c1-16(13,14)8-2-6-12-7-5-9-3-4-10(11)15-9/h3-4,12H,2,5-8H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 106046353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).