N-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine

C9H19NO2S — CID 170117422

IUPACN-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine
SMILESC=C(C)N(C)CCS(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO2S/c1-8(2)10(5)6-7-13(11,12)9(3)4/h9H,1,6-7H2,2-5H3
InChIKeyFGVTYFNBUVUMAN-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.27
Rot. Bonds5

About N-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine

N-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine (PubChem CID 170117422) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine
PubChem CID170117422
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine
SMILESC=C(C)N(C)CCS(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO2S/c1-8(2)10(5)6-7-13(11,12)9(3)4/h9H,1,6-7H2,2-5H3
InChIKeyFGVTYFNBUVUMAN-UHFFFAOYSA-N
XLogP1.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine?
The IUPAC name of N-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine (CID 170117422) is N-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine.
What is the SMILES notation for N-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine?
The canonical SMILES for N-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine is C=C(C)N(C)CCS(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine?
The InChIKey is FGVTYFNBUVUMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)10(5)6-7-13(11,12)9(3)4/h9H,1,6-7H2,2-5H3.
What are the key properties of N-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine?
N-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine has a molecular weight of 205.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-propan-2-ylsulfonylethyl)prop-1-en-2-amine is sourced from PubChem (CID 170117422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).