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

C15H24N2S — CID 62779626

IUPAC3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide
SMILESCCC(C)CN(C)C(CC(N)=S)c1ccccc1
InChIInChI=1S/C15H24N2S/c1-4-12(2)11-17(3)14(10-15(16)18)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H2,16,18)
InChIKeyBANMQRSSYREHON-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.38
Rot. Bonds7

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

3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide (PubChem CID 62779626) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide.

Molecular Properties

Compound Name3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide
PubChem CID62779626
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide
SMILESCCC(C)CN(C)C(CC(N)=S)c1ccccc1
InChIInChI=1S/C15H24N2S/c1-4-12(2)11-17(3)14(10-15(16)18)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H2,16,18)
InChIKeyBANMQRSSYREHON-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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

N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide
CID 76949179
3-[methyl(2-methylbutyl)amino]-2-phenylpropanethioamide
CID 64538543
3-[methyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanethioamide
CID 62780096
3-[methyl(pyridin-4-ylmethyl)amino]-3-phenylpropanethioamide
CID 62779783
3-[(4-chlorophenyl)methyl-methylamino]-3-phenylpropanethioamide
CID 62779798
3-[(2-chlorophenyl)methyl-methylamino]-3-phenylpropanethioamide
CID 62779797
3-[butan-2-yl(2-methoxyethyl)amino]-3-phenylpropanethioamide
CID 62780127
2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine
CID 43295709
3-[cyclopentyl(methyl)amino]-3-phenylpropanethioamide
CID 62779621
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-phenylpropanethioamide
CID 63275740
3-[2-methoxyethyl(pentan-3-yl)amino]-3-phenylpropanethioamide
CID 62780451
3-[ethyl(2,2,2-trifluoroethyl)amino]-3-phenylpropanethioamide
CID 55117640

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide?
The IUPAC name of 3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide (CID 62779626) is 3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide.
What is the SMILES notation for 3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide?
The canonical SMILES for 3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide is CCC(C)CN(C)C(CC(N)=S)c1ccccc1.
What is the InChIKey of 3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide?
The InChIKey is BANMQRSSYREHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-4-12(2)11-17(3)14(10-15(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]-3-phenylpropanethioamide?
3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide has a molecular weight of 264.44 g/mol, XLogP of 3.38, 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]-3-phenylpropanethioamide is sourced from PubChem (CID 62779626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).