N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine

C9H22N2O2S — CID 106513174

IUPACN',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
SMILESCC(C)S(=O)(=O)CCNCCN(C)C
InChIInChI=1S/C9H22N2O2S/c1-9(2)14(12,13)8-6-10-5-7-11(3)4/h9-10H,5-8H2,1-4H3
InChIKeyBBQWFQPKCVQZGU-UHFFFAOYSA-N
MW222.35 g/mol
LogP-0.04
Rot. Bonds7

About N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine

N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine (PubChem CID 106513174) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
PubChem CID106513174
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine
SMILESCC(C)S(=O)(=O)CCNCCN(C)C
InChIInChI=1S/C9H22N2O2S/c1-9(2)14(12,13)8-6-10-5-7-11(3)4/h9-10H,5-8H2,1-4H3
InChIKeyBBQWFQPKCVQZGU-UHFFFAOYSA-N
XLogP-0.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
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2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
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N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide
CID 106723197
2,2,2-trifluoro-N-(2-propan-2-ylsulfonylethyl)ethanamine
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2-ethylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724497
6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 107844658
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
4-methylsulfanyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106724466
N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine
CID 106221548
N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106723531
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106153515

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine (CID 106513174) is N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine is CC(C)S(=O)(=O)CCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine?
The InChIKey is BBQWFQPKCVQZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-9(2)14(12,13)8-6-10-5-7-11(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine has a molecular weight of 222.35 g/mol, XLogP of -0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-propan-2-ylsulfonylethyl)ethane-1,2-diamine is sourced from PubChem (CID 106513174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).