N,N-dimethyl-2-propan-2-ylsulfinylethanamine

C7H17NOS — CID 123112524

IUPACN,N-dimethyl-2-propan-2-ylsulfinylethanamine
SMILESCC(C)S(=O)CCN(C)C
InChIInChI=1S/C7H17NOS/c1-7(2)10(9)6-5-8(3)4/h7H,5-6H2,1-4H3
InChIKeyHRPDLVMTWPCZMA-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.71
Rot. Bonds4

About N,N-dimethyl-2-propan-2-ylsulfinylethanamine

N,N-dimethyl-2-propan-2-ylsulfinylethanamine (PubChem CID 123112524) has the molecular formula C7H17NOS and a molecular weight of 163.29 g/mol. Its IUPAC name is N,N-dimethyl-2-propan-2-ylsulfinylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-propan-2-ylsulfinylethanamine
PubChem CID123112524
Molecular FormulaC7H17NOS
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC NameN,N-dimethyl-2-propan-2-ylsulfinylethanamine
SMILESCC(C)S(=O)CCN(C)C
InChIInChI=1S/C7H17NOS/c1-7(2)10(9)6-5-8(3)4/h7H,5-6H2,1-4H3
InChIKeyHRPDLVMTWPCZMA-UHFFFAOYSA-N
XLogP0.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-methyl-3-propan-2-ylsulfinylpropanamide
CID 81329073
3-propan-2-ylsulfinylpropanethioic S-acid
CID 88749489
propan-2-ylsulfinylmethanethiol
CID 146656946
diberyllium;hydride;bis(2-methanidylpropane);N,N,N',N'-tetramethylethane-1,2-diamine
CID 135082074
2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine
CID 166889153
3-propan-2-ylsulfinyl-N-propylpropan-1-amine
CID 64654588
propan-2-ylsulfinylmethanesulfinic acid
CID 89072296
N,N-dimethylpropane-2-sulfinamide
CID 118967540
2-(benzenesulfinyl)-N,N-dimethylethanamine;hydrochloride
CID 21391051
2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]propanoic acid
CID 114525897
CID 88826921
CID 88826921
CID 175787026
CID 175787026

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-propan-2-ylsulfinylethanamine?
The IUPAC name of N,N-dimethyl-2-propan-2-ylsulfinylethanamine (CID 123112524) is N,N-dimethyl-2-propan-2-ylsulfinylethanamine.
What is the SMILES notation for N,N-dimethyl-2-propan-2-ylsulfinylethanamine?
The canonical SMILES for N,N-dimethyl-2-propan-2-ylsulfinylethanamine is CC(C)S(=O)CCN(C)C.
What is the InChIKey of N,N-dimethyl-2-propan-2-ylsulfinylethanamine?
The InChIKey is HRPDLVMTWPCZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NOS/c1-7(2)10(9)6-5-8(3)4/h7H,5-6H2,1-4H3.
What are the key properties of N,N-dimethyl-2-propan-2-ylsulfinylethanamine?
N,N-dimethyl-2-propan-2-ylsulfinylethanamine has a molecular weight of 163.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-propan-2-ylsulfinylethanamine is sourced from PubChem (CID 123112524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).