N-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine

C8H16ClNO2S — CID 115901350

IUPACN-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine
SMILESC=C(Cl)CNC(C)CS(=O)(=O)CC
InChIInChI=1S/C8H16ClNO2S/c1-4-13(11,12)6-8(3)10-5-7(2)9/h8,10H,2,4-6H2,1,3H3
InChIKeyVGYQNMBHAGVRAG-UHFFFAOYSA-N
MW225.74 g/mol
LogP1.15
Rot. Bonds6

About N-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine

N-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine (PubChem CID 115901350) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine
PubChem CID115901350
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC NameN-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine
SMILESC=C(Cl)CNC(C)CS(=O)(=O)CC
InChIInChI=1S/C8H16ClNO2S/c1-4-13(11,12)6-8(3)10-5-7(2)9/h8,10H,2,4-6H2,1,3H3
InChIKeyVGYQNMBHAGVRAG-UHFFFAOYSA-N
XLogP1.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroprop-2-enyl)hexan-2-amine
CID 62198931
3-(2-chloroprop-2-enylamino)butan-1-ol
CID 83176226
N-tert-butyl-2-(1-ethylsulfonylpropan-2-ylamino)acetamide
CID 113350703
methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate
CID 104646630
3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol
CID 115900563
N-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61474181
2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine
CID 81394329
N-(2-chloroprop-2-enyl)-1,1-difluoropropan-2-amine
CID 102870047
N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine
CID 115901103
N-(1-ethylsulfonylpropan-2-yl)hexan-1-amine
CID 115900569
N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine
CID 115901279
N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine
CID 115626115

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine (CID 115901350) is N-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine is C=C(Cl)CNC(C)CS(=O)(=O)CC.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine?
The InChIKey is VGYQNMBHAGVRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2S/c1-4-13(11,12)6-8(3)10-5-7(2)9/h8,10H,2,4-6H2,1,3H3.
What are the key properties of N-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine?
N-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine has a molecular weight of 225.74 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-1-ethylsulfonylpropan-2-amine is sourced from PubChem (CID 115901350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).