2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine

C15H25NS — CID 64614445

IUPAC2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine
SMILESCCC(C)SC(CC)C(NC)c1ccccc1
InChIInChI=1S/C15H25NS/c1-5-12(3)17-14(6-2)15(16-4)13-10-8-7-9-11-13/h7-12,14-16H,5-6H2,1-4H3
InChIKeyVHRYBRURKMBHSN-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.26
Rot. Bonds7

About 2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine

2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine (PubChem CID 64614445) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine
PubChem CID64614445
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine
SMILESCCC(C)SC(CC)C(NC)c1ccccc1
InChIInChI=1S/C15H25NS/c1-5-12(3)17-14(6-2)15(16-4)13-10-8-7-9-11-13/h7-12,14-16H,5-6H2,1-4H3
InChIKeyVHRYBRURKMBHSN-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

2-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
CID 113374028
2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylbutan-1-amine
CID 64632583
(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
CID 11969836
2-butan-2-ylsulfanyl-3-methyl-1-phenyl-N-propylbutan-1-amine
CID 64613003
3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylbutan-2-ol
CID 107772701
2-butan-2-ylsulfanyl-N-methyl-1-phenylethanamine
CID 64613225
N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylbutan-1-amine
CID 64650109
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylbutan-1-amine
CID 64650183
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
N,N',2-trimethyl-N'-(2-methylbutyl)-1-phenylpropane-1,3-diamine
CID 62619073
2-butan-2-ylsulfinyl-N-methyl-1-phenylbutan-1-amine
CID 64653955
4-methyl-3-[1-(methylamino)-1-phenylbutan-2-yl]sulfanyl-1H-1,2,4-triazol-5-one
CID 64632173

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine?
The IUPAC name of 2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine (CID 64614445) is 2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine?
The canonical SMILES for 2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine is CCC(C)SC(CC)C(NC)c1ccccc1.
What is the InChIKey of 2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine?
The InChIKey is VHRYBRURKMBHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-12(3)17-14(6-2)15(16-4)13-10-8-7-9-11-13/h7-12,14-16H,5-6H2,1-4H3.
What are the key properties of 2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine?
2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 64614445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).