N,N-dimethyl-2-(3-methylsulfonylpropylsulfonimidoyl)ethanamine

C8H20N2O3S2 — CID 167346543

IUPACN,N-dimethyl-2-(3-methylsulfonylpropylsulfonimidoyl)ethanamine
SMILES[H]N=S(=O)(CCCS(C)(=O)=O)CCN(C)C
InChIInChI=1S/C8H20N2O3S2/c1-10(2)5-8-15(9,13)7-4-6-14(3,11)12/h9H,4-8H2,1-3H3
InChIKeyIHFAQECAABIUNQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.03
Rot. Bonds7

About N,N-dimethyl-2-(3-methylsulfonylpropylsulfonimidoyl)ethanamine

N,N-dimethyl-2-(3-methylsulfonylpropylsulfonimidoyl)ethanamine (PubChem CID 167346543) has the molecular formula C8H20N2O3S2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methylsulfonylpropylsulfonimidoyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methylsulfonylpropylsulfonimidoyl)ethanamine
PubChem CID167346543
Molecular FormulaC8H20N2O3S2
Molecular Weight256.39 g/mol
Exact Mass256.09
IUPAC NameN,N-dimethyl-2-(3-methylsulfonylpropylsulfonimidoyl)ethanamine
SMILES[H]N=S(=O)(CCCS(C)(=O)=O)CCN(C)C
InChIInChI=1S/C8H20N2O3S2/c1-10(2)5-8-15(9,13)7-4-6-14(3,11)12/h9H,4-8H2,1-3H3
InChIKeyIHFAQECAABIUNQ-UHFFFAOYSA-N
XLogP0.03
TPSA78.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(dimethylamino)-6-methylsulfonylhexan-3-one
CID 115345724
N',N'-dimethyl-N-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190616
N',N'-dimethyl-N-(3-methylsulfonylpropyl)butane-1,4-diamine
CID 63191501
(E)-N-methyl-N-(3-methylsulfonylpropyl)but-2-en-1-amine
CID 144566520
N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine
CID 63190884
N-methyl-N-(3-methylsulfonylpropyl)acetamide
CID 23402949
N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide
CID 59747346
sodium 2-(dimethylamino)ethanesulfonate
CID 23516383
N-iodo-N-methyl-2-methylsulfonylethanamine
CID 130371768
2-(dimethylamino)ethanethiol;methanesulfonic acid
CID 23033854
2-(dimethylamino)ethanesulfonyl chloride;hydrochloride
CID 14219658
1-(dimethylamino)-5-methylsulfonylpentan-2-ol
CID 79087206

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methylsulfonylpropylsulfonimidoyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3-methylsulfonylpropylsulfonimidoyl)ethanamine (CID 167346543) is N,N-dimethyl-2-(3-methylsulfonylpropylsulfonimidoyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-methylsulfonylpropylsulfonimidoyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-methylsulfonylpropylsulfonimidoyl)ethanamine is [H]N=S(=O)(CCCS(C)(=O)=O)CCN(C)C.
What is the InChIKey of N,N-dimethyl-2-(3-methylsulfonylpropylsulfonimidoyl)ethanamine?
The InChIKey is IHFAQECAABIUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S2/c1-10(2)5-8-15(9,13)7-4-6-14(3,11)12/h9H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(3-methylsulfonylpropylsulfonimidoyl)ethanamine?
N,N-dimethyl-2-(3-methylsulfonylpropylsulfonimidoyl)ethanamine has a molecular weight of 256.39 g/mol, XLogP of 0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methylsulfonylpropylsulfonimidoyl)ethanamine is sourced from PubChem (CID 167346543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).