4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine

C14H23NS — CID 64625894

IUPAC4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCSc1cccc(C)c1
InChIInChI=1S/C14H23NS/c1-4-9-15-13(3)8-10-16-14-7-5-6-12(2)11-14/h5-7,11,13,15H,4,8-10H2,1-3H3
InChIKeyMGTNBMTVGNCYLX-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.87
Rot. Bonds7

About 4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine

4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine (PubChem CID 64625894) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine
PubChem CID64625894
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCSc1cccc(C)c1
InChIInChI=1S/C14H23NS/c1-4-9-15-13(3)8-10-16-14-7-5-6-12(2)11-14/h5-7,11,13,15H,4,8-10H2,1-3H3
InChIKeyMGTNBMTVGNCYLX-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylphenyl)sulfanylethyl]pentan-2-amine
CID 62580487
N-ethyl-5-(3-methylphenyl)sulfanylpentan-2-amine
CID 64628101
N-[2-(3-methylphenyl)sulfanylethyl]pentan-3-amine
CID 62580669
1-(3-methylphenyl)sulfanyl-N-propylhexan-2-amine
CID 66086046
2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64808532
N-ethyl-1-(3-methylphenyl)sulfanylpropan-2-amine
CID 64628097
1-(3,3-diethoxypropylsulfanyl)-3-methylbenzene
CID 63629155
1-(3,3-dimethoxypropylsulfanyl)-3-methylbenzene
CID 165440790
1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66087790
(1R)-1-(3-methylphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81360352
2-(methylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64806432
5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 64619560

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine?
The IUPAC name of 4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine (CID 64625894) is 4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine?
The canonical SMILES for 4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine is CCCNC(C)CCSc1cccc(C)c1.
What is the InChIKey of 4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine?
The InChIKey is MGTNBMTVGNCYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-9-15-13(3)8-10-16-14-7-5-6-12(2)11-14/h5-7,11,13,15H,4,8-10H2,1-3H3.
What are the key properties of 4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine?
4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)sulfanyl-N-propylbutan-2-amine is sourced from PubChem (CID 64625894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).