3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine

C14H21NS — CID 20573468

IUPAC3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(SC2CC2)cc1
InChIInChI=1S/C14H21NS/c1-15(2)11-3-4-12-5-7-13(8-6-12)16-14-9-10-14/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyRSWPLQKANUBPTP-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.44
Rot. Bonds6

About 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine

3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 20573468) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine
PubChem CID20573468
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(SC2CC2)cc1
InChIInChI=1S/C14H21NS/c1-15(2)11-3-4-12-5-7-13(8-6-12)16-14-9-10-14/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyRSWPLQKANUBPTP-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-cyclopentylsulfanylphenyl)-N,N-dimethylpropan-1-amine
CID 20573036
O-[2-(4-cyclopropylsulfanylphenyl)ethyl]hydroxylamine
CID 117299468
3-(4-benzylsulfanylphenyl)-N,N-dimethylpropan-1-amine
CID 20573271
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557
1-butyl-4-(4-phenylsulfanylcyclohexyl)benzene;pentahydrofluoride
CID 67939353
3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylprop-2-en-1-amine
CID 54409430
1-(4-cyclopropylsulfanylphenyl)propan-2-amine
CID 117296861
1-cyclopropylsulfanyl-4-methylbenzene
CID 12836423
1-(4-cyclopentylsulfanylphenyl)-3-(dimethylamino)propan-1-ol
CID 20573458
3-(4-cyclohexylsulfanylphenyl)-N,N,2-trimethylpropan-1-amine
CID 20573095
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
N,N-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-amine
CID 170865966

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine (CID 20573468) is 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccc(SC2CC2)cc1.
What is the InChIKey of 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is RSWPLQKANUBPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-15(2)11-3-4-12-5-7-13(8-6-12)16-14-9-10-14/h5-8,14H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine?
3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylsulfanylphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 20573468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).