1-methylsulfinyl-N-propan-2-ylpropan-2-amine

C7H17NOS — CID 104537797

IUPAC1-methylsulfinyl-N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)CS(C)=O
InChIInChI=1S/C7H17NOS/c1-6(2)8-7(3)5-10(4)9/h6-8H,5H2,1-4H3
InChIKeyHUMSLLJHBBVNMQ-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.75
Rot. Bonds4

About 1-methylsulfinyl-N-propan-2-ylpropan-2-amine

1-methylsulfinyl-N-propan-2-ylpropan-2-amine (PubChem CID 104537797) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is 1-methylsulfinyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-methylsulfinyl-N-propan-2-ylpropan-2-amine
PubChem CID104537797
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name1-methylsulfinyl-N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)CS(C)=O
InChIInChI=1S/C7H17NOS/c1-6(2)8-7(3)5-10(4)9/h6-8H,5H2,1-4H3
InChIKeyHUMSLLJHBBVNMQ-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methylsulfinylpropan-2-yl)octan-2-amine
CID 104537610
N-(1-methylsulfinylpropan-2-yl)cyclobutanamine
CID 104530811
N'-hydroxy-3-(1-methylsulfinylpropan-2-ylamino)butanimidamide
CID 104865880
2-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]benzene-1,3-diol
CID 107711277
N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine
CID 104537779
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine
CID 104537498
4-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]benzonitrile
CID 113424502
(2R)-1-methylsulfinylpropan-2-amine
CID 88956942
(2S)-1-[(R)-methylsulfinyl]propan-2-amine
CID 96718307
N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]cycloheptanecarboxamide
CID 97351327
4-methyl-2-[1-(1-methylsulfinylpropan-2-ylamino)ethyl]phenol
CID 113429527
3-methoxy-2-methyl-N-(1-methylsulfinylpropan-2-yl)propan-1-amine
CID 116501505

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-methylsulfinyl-N-propan-2-ylpropan-2-amine (CID 104537797) is 1-methylsulfinyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-methylsulfinyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-methylsulfinyl-N-propan-2-ylpropan-2-amine is CC(C)NC(C)CS(C)=O.
What is the InChIKey of 1-methylsulfinyl-N-propan-2-ylpropan-2-amine?
The InChIKey is HUMSLLJHBBVNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-6(2)8-7(3)5-10(4)9/h6-8H,5H2,1-4H3.
What are the key properties of 1-methylsulfinyl-N-propan-2-ylpropan-2-amine?
1-methylsulfinyl-N-propan-2-ylpropan-2-amine has a molecular weight of 163.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 104537797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).