N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine

C14H23NS — CID 65143197

IUPACN-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
SMILESCCNC(CSc1ccccc1)CC(C)C
InChIInChI=1S/C14H23NS/c1-4-15-13(10-12(2)3)11-16-14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3
InChIKeyLKCIRHZDZBLKOV-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.80
Rot. Bonds7

About N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine

N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine (PubChem CID 65143197) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
PubChem CID65143197
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
SMILESCCNC(CSc1ccccc1)CC(C)C
InChIInChI=1S/C14H23NS/c1-4-15-13(10-12(2)3)11-16-14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3
InChIKeyLKCIRHZDZBLKOV-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-phenylsulfanylhex-5-yn-2-amine
CID 65143383
3-phenylsulfanyl-2-(propylamino)propan-1-ol
CID 64819067
N-ethyl-1-phenylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 65143801
N-ethyl-1-(furan-3-yl)-3-phenylsulfanylpropan-2-amine
CID 83175239
1-(3,4-dichlorophenyl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143571
1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66057294
2-(3-methylbutylamino)-3-phenylsulfanylpropan-1-ol;hydrochloride
CID 22723357
4-methyl-1-phenylsulfanylpentan-2-amine
CID 65142507
N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65143428
1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143756
N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066786
N-ethyl-1-(4-fluorophenyl)sulfanyl-4-methylheptan-2-amine
CID 66070783

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine (CID 65143197) is N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine is CCNC(CSc1ccccc1)CC(C)C.
What is the InChIKey of N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine?
The InChIKey is LKCIRHZDZBLKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-15-13(10-12(2)3)11-16-14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine?
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine is sourced from PubChem (CID 65143197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).