N-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine

C9H20N2O2S — CID 84686176

IUPACN-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine
SMILESCC(C)S(=O)(=O)CCN(C)C1CNC1
InChIInChI=1S/C9H20N2O2S/c1-8(2)14(12,13)5-4-11(3)9-6-10-7-9/h8-10H,4-7H2,1-3H3
InChIKeyVVBQTAFASGSPIT-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.29
Rot. Bonds5

About N-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine

N-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine (PubChem CID 84686176) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine
PubChem CID84686176
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine
SMILESCC(C)S(=O)(=O)CCN(C)C1CNC1
InChIInChI=1S/C9H20N2O2S/c1-8(2)14(12,13)5-4-11(3)9-6-10-7-9/h8-10H,4-7H2,1-3H3
InChIKeyVVBQTAFASGSPIT-UHFFFAOYSA-N
XLogP-0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1,1-Dioxidotetrahydrothien-3-Yl)-N,N-Diethylethane-1,2-Diamine
CID 16226707
4-(Azetidin-3-yl)thiomorpholine 1,1-dioxide
CID 59751961
N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 3131596
3-((2-(Diisopropylamino)ethyl)amino)tetrahydrothiophene 1,1-dioxide
CID 4962282
N-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine
CID 43807684
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]propan-2-amine
CID 59028119
1-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-2-amine
CID 62633303
N'-(2-ethylsulfonylethyl)-N,N'-dimethylethane-1,2-diamine
CID 64083234
N-(2-propan-2-ylsulfonylethyl)propan-2-amine
CID 64675219
N-[3-(Methylsulfonyl)propyl]-3-azetidinamine
CID 65957823
N-(azetidin-3-yl)butane-1-sulfonamide
CID 66186548
N-(azetidin-3-yl)-N-methylpropane-1-sulfonamide
CID 66187350

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine?
The IUPAC name of N-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine (CID 84686176) is N-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine.
What is the SMILES notation for N-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine?
The canonical SMILES for N-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine is CC(C)S(=O)(=O)CCN(C)C1CNC1.
What is the InChIKey of N-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine?
The InChIKey is VVBQTAFASGSPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8(2)14(12,13)5-4-11(3)9-6-10-7-9/h8-10H,4-7H2,1-3H3.
What are the key properties of N-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine?
N-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine has a molecular weight of 220.34 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-propan-2-ylsulfonylethyl)azetidin-3-amine is sourced from PubChem (CID 84686176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).