2-methyl-4-phenylsulfanylbutan-2-amine

C11H17NS — CID 10584022

IUPAC2-methyl-4-phenylsulfanylbutan-2-amine
SMILESCC(C)(N)CCSc1ccccc1
InChIInChI=1S/C11H17NS/c1-11(2,12)8-9-13-10-6-4-3-5-7-10/h3-7H,8-9,12H2,1-2H3
InChIKeyHYCBXQHPMXSPOB-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.91
Rot. Bonds4

About 2-methyl-4-phenylsulfanylbutan-2-amine

2-methyl-4-phenylsulfanylbutan-2-amine (PubChem CID 10584022) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2-methyl-4-phenylsulfanylbutan-2-amine.

Molecular Properties

Compound Name2-methyl-4-phenylsulfanylbutan-2-amine
PubChem CID10584022
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2-methyl-4-phenylsulfanylbutan-2-amine
SMILESCC(C)(N)CCSc1ccccc1
InChIInChI=1S/C11H17NS/c1-11(2,12)8-9-13-10-6-4-3-5-7-10/h3-7H,8-9,12H2,1-2H3
InChIKeyHYCBXQHPMXSPOB-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-phenylsulfanylhexan-3-amine
CID 79223944
2,2-dimethyl-4-phenylsulfanylbutanamide
CID 142130509
4-(4-methoxyphenyl)sulfanyl-2-methylbutan-2-amine
CID 117032804
N-[4-(3-amino-3-methylbutyl)sulfanylphenyl]acetamide
CID 117032830
N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine
CID 81023439
2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
CID 79228773
N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide
CID 10633640
5-(4-bromophenyl)sulfanyl-2-methylpentan-2-amine
CID 3026385
3,3-dimethyl-4-phenylsulfanylbutan-1-amine
CID 115026624
1-amino-2-phenyl-4-phenylsulfanylbutan-2-ol
CID 116696162
N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide
CID 77063342
ethane;2-phenylsulfanylethanethiol
CID 142910826

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylsulfanylbutan-2-amine?
The IUPAC name of 2-methyl-4-phenylsulfanylbutan-2-amine (CID 10584022) is 2-methyl-4-phenylsulfanylbutan-2-amine.
What is the SMILES notation for 2-methyl-4-phenylsulfanylbutan-2-amine?
The canonical SMILES for 2-methyl-4-phenylsulfanylbutan-2-amine is CC(C)(N)CCSc1ccccc1.
What is the InChIKey of 2-methyl-4-phenylsulfanylbutan-2-amine?
The InChIKey is HYCBXQHPMXSPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-11(2,12)8-9-13-10-6-4-3-5-7-10/h3-7H,8-9,12H2,1-2H3.
What are the key properties of 2-methyl-4-phenylsulfanylbutan-2-amine?
2-methyl-4-phenylsulfanylbutan-2-amine has a molecular weight of 195.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylsulfanylbutan-2-amine is sourced from PubChem (CID 10584022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).