(1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine

C9H16N2S — CID 134307108

IUPAC(1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine
SMILESCN(C)[C@@H](CCN)c1ccsc1
InChIInChI=1S/C9H16N2S/c1-11(2)9(3-5-10)8-4-6-12-7-8/h4,6-7,9H,3,5,10H2,1-2H3/t9-/m0/s1
InChIKeyPSRQNUXURMUKBJ-VIFPVBQESA-N
MW184.31 g/mol
LogP1.70
Rot. Bonds4

About (1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine

(1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine (PubChem CID 134307108) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine
PubChem CID134307108
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name(1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine
SMILESCN(C)[C@@H](CCN)c1ccsc1
InChIInChI=1S/C9H16N2S/c1-11(2)9(3-5-10)8-4-6-12-7-8/h4,6-7,9H,3,5,10H2,1-2H3/t9-/m0/s1
InChIKeyPSRQNUXURMUKBJ-VIFPVBQESA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-thiophen-3-ylpropan-1-ol
CID 65185005
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709
4-thiophen-3-ylpentan-1-amine
CID 83927705
2,4-diamino-1-thiophen-3-ylbutan-1-ol
CID 83927672
N-methyl-N-(2-methylphenyl)-1-thiophen-3-ylethane-1,2-diamine
CID 62004095
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-(2-methoxyethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61427465
N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide
CID 16932111
N-methyl-N-(2-phenylethyl)-1-thiophen-3-ylethane-1,2-diamine
CID 65483504
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61444758
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-fluorobenzenesulfonamide
CID 16932724

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine?
The IUPAC name of (1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine (CID 134307108) is (1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine.
What is the SMILES notation for (1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine?
The canonical SMILES for (1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine is CN(C)[C@@H](CCN)c1ccsc1.
What is the InChIKey of (1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine?
The InChIKey is PSRQNUXURMUKBJ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16N2S/c1-11(2)9(3-5-10)8-4-6-12-7-8/h4,6-7,9H,3,5,10H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine?
(1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine has a molecular weight of 184.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine is sourced from PubChem (CID 134307108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).