(1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine

C5H12ClNS — CID 55302478

IUPAC(1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine
SMILESCS[C@@H](CCl)N(C)C
InChIInChI=1S/C5H12ClNS/c1-7(2)5(4-6)8-3/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyJYOHHIPUJYUAGV-YFKPBYRVSA-N
MW153.68 g/mol
LogP1.48
Rot. Bonds3

About (1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine

(1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine (PubChem CID 55302478) has the molecular formula C5H12ClNS and a molecular weight of 153.68 g/mol. Its IUPAC name is (1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine.

Molecular Properties

Compound Name(1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine
PubChem CID55302478
Molecular FormulaC5H12ClNS
Molecular Weight153.68 g/mol
Exact Mass153.04
IUPAC Name(1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine
SMILESCS[C@@H](CCl)N(C)C
InChIInChI=1S/C5H12ClNS/c1-7(2)5(4-6)8-3/h5H,4H2,1-3H3/t5-/m0/s1
InChIKeyJYOHHIPUJYUAGV-YFKPBYRVSA-N
XLogP1.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.68
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine
CID 157189725
2-[2-(ethylamino)hydrazinyl]-N,N-dimethyl-1-methylsulfanylethanamine
CID 123256655
1,2-dichloro-N,N-dimethylethanamine;hydrate
CID 90102639
N,N-dimethyl-5-methylsulfanylhexan-3-amine
CID 177172917
azane;N'-(1,3-dichloropropan-2-yl)-N,N-dimethylmethanimidamide
CID 87509141
chloro(methylsulfanyl)methane
CID 16916
dichloromethane;methylsulfanylmethane;trihydrofluoride
CID 173164348
S-[2-(dimethylamino)-2-(methyldisulfanyl)ethyl] ethanethioate
CID 154990344
6-chloro-N,N,5-trimethylhexan-3-amine
CID 88740860
4-chloro-3-methylsulfanylbutanoic acid
CID 55301643
1-N,1-N,1-N',1-N',7-N,7-N,7-N',7-N'-octamethylheptane-1,1,7,7-tetramine
CID 87407366
1,1,3-trichloro-2-methylpropane
CID 23268512

Frequently Asked Questions

What is the IUPAC name of (1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine?
The IUPAC name of (1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine (CID 55302478) is (1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine.
What is the SMILES notation for (1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine?
The canonical SMILES for (1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine is CS[C@@H](CCl)N(C)C.
What is the InChIKey of (1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine?
The InChIKey is JYOHHIPUJYUAGV-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12ClNS/c1-7(2)5(4-6)8-3/h5H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine?
(1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine has a molecular weight of 153.68 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-chloro-N,N-dimethyl-1-methylsulfanylethanamine is sourced from PubChem (CID 55302478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).