2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine

C15H25NS — CID 79228773

IUPAC2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)(C)CCSc1ccccc1
InChIInChI=1S/C15H25NS/c1-13(2)16-12-15(3,4)10-11-17-14-8-6-5-7-9-14/h5-9,13,16H,10-12H2,1-4H3
InChIKeyVZIVBRZRPLGHDD-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.19
Rot. Bonds7

About 2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine

2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine (PubChem CID 79228773) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
PubChem CID79228773
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)(C)CCSc1ccccc1
InChIInChI=1S/C15H25NS/c1-13(2)16-12-15(3,4)10-11-17-14-8-6-5-7-9-14/h5-9,13,16H,10-12H2,1-4H3
InChIKeyVZIVBRZRPLGHDD-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

2,2-diethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
CID 79228777
2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine
CID 65308891
N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine
CID 81023439
3,3-dimethyl-2-(2-phenylsulfanylethyl)-N-propan-2-ylbutan-1-amine
CID 83139032
2-methyl-4-phenylsulfanylbutan-2-amine
CID 10584022
N-ethyl-4-methyl-6-phenylsulfanylhexan-2-amine
CID 79224233
N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine
CID 79221911
3-methyl-1-phenylsulfanylhexan-3-amine
CID 79223944
2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine
CID 79227368
N-(2-phenylsulfanylethyl)-4-propan-2-ylaniline
CID 79211777
2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine
CID 83148119
3,3-dimethyl-4-phenylsulfanylbutan-1-amine
CID 115026624

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine (CID 79228773) is 2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(C)(C)CCSc1ccccc1.
What is the InChIKey of 2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine?
The InChIKey is VZIVBRZRPLGHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-13(2)16-12-15(3,4)10-11-17-14-8-6-5-7-9-14/h5-9,13,16H,10-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine?
2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79228773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).