3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide

C15H24N2S — CID 64538543

IUPAC3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide
SMILESCCC(C)CN(C)CC(C(N)=S)c1ccccc1
InChIInChI=1S/C15H24N2S/c1-4-12(2)10-17(3)11-14(15(16)18)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H2,16,18)
InChIKeyDNBBRPXHJRKBFX-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.03
Rot. Bonds7

About 3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide

3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide (PubChem CID 64538543) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide.

Molecular Properties

Compound Name3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide
PubChem CID64538543
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide
SMILESCCC(C)CN(C)CC(C(N)=S)c1ccccc1
InChIInChI=1S/C15H24N2S/c1-4-12(2)10-17(3)11-14(15(16)18)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H2,16,18)
InChIKeyDNBBRPXHJRKBFX-UHFFFAOYSA-N
XLogP3.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[methyl(propan-2-yl)amino]-2-phenylpropanethioamide
CID 64535916
3-[methyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanethioamide
CID 64537730
3-[methyl(2-methylbutyl)amino]-2-phenylpropanehydrazide
CID 64567890
3-(N-methylanilino)-2-phenylpropanethioamide
CID 64538135
3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide
CID 62779626
3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide
CID 64536514
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpropanethioamide
CID 64535725
3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-phenylpropanethioamide
CID 64536727
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
CID 62619073
1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 62265077
2-[2-[methyl(2-methylbutyl)amino]ethoxy]benzenecarbothioamide
CID 43295824
N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide
CID 76949179

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide?
The IUPAC name of 3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide (CID 64538543) is 3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide.
What is the SMILES notation for 3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide?
The canonical SMILES for 3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide is CCC(C)CN(C)CC(C(N)=S)c1ccccc1.
What is the InChIKey of 3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide?
The InChIKey is DNBBRPXHJRKBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-4-12(2)10-17(3)11-14(15(16)18)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H2,16,18).
What are the key properties of 3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide?
3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide has a molecular weight of 264.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide is sourced from PubChem (CID 64538543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).