(3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine

C8H12ClNS — CID 89397451

IUPAC(3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@H](Cl)c1cccs1
InChIInChI=1S/C8H12ClNS/c1-10-5-4-7(9)8-3-2-6-11-8/h2-3,6-7,10H,4-5H2,1H3/t7-/m0/s1
InChIKeyMQOWZEKXESCKEH-ZETCQYMHSA-N
MW189.71 g/mol
LogP2.64
Rot. Bonds4

About (3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine

(3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 89397451) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is (3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name(3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine
PubChem CID89397451
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name(3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine
SMILESCNCC[C@H](Cl)c1cccs1
InChIInChI=1S/C8H12ClNS/c1-10-5-4-7(9)8-3-2-6-11-8/h2-3,6-7,10H,4-5H2,1H3/t7-/m0/s1
InChIKeyMQOWZEKXESCKEH-ZETCQYMHSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
(3S)-3-chloro-3-thiophen-2-ylpropan-1-ol
CID 69099152
4-chloro-4-thiophen-2-ylbutan-1-ol
CID 82366969
N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 69260983
2-(1-chloro-3-methylbutyl)thiophene
CID 61085151
3-(4-chloronaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 15015312
(3S)-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 166640378
N-methyl-3-[2-[2-(methylamino)ethyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 138738146
3-(2,3,4,5,6,7,8-heptamethylnaphthalen-1-yl)oxy-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 58879412
(2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 11515325
N'-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 115287726
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745

Frequently Asked Questions

What is the IUPAC name of (3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of (3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine (CID 89397451) is (3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for (3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for (3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine is CNCC[C@H](Cl)c1cccs1.
What is the InChIKey of (3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is MQOWZEKXESCKEH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12ClNS/c1-10-5-4-7(9)8-3-2-6-11-8/h2-3,6-7,10H,4-5H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine?
(3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 189.71 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 89397451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).