N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine

C9H16ClNO2S — CID 84591207

IUPACN-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine
SMILESC=C(Cl)CN(C)C1CCS(=O)(=O)CC1
InChIInChI=1S/C9H16ClNO2S/c1-8(10)7-11(2)9-3-5-14(12,13)6-4-9/h9H,1,3-7H2,2H3
InChIKeyFWEIAYSZJUWQFJ-UHFFFAOYSA-N
MW237.75 g/mol
LogP1.25
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine

N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine (PubChem CID 84591207) has the molecular formula C9H16ClNO2S and a molecular weight of 237.75 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine
PubChem CID84591207
Molecular FormulaC9H16ClNO2S
Molecular Weight237.75 g/mol
Exact Mass237.06
IUPAC NameN-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine
SMILESC=C(Cl)CN(C)C1CCS(=O)(=O)CC1
InChIInChI=1S/C9H16ClNO2S/c1-8(10)7-11(2)9-3-5-14(12,13)6-4-9/h9H,1,3-7H2,2H3
InChIKeyFWEIAYSZJUWQFJ-UHFFFAOYSA-N
XLogP1.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-but-2-enyl-N-methyl-1,1-dioxothian-4-amine
CID 169447952
N-(2-chloroprop-2-enyl)-1,1-dioxothian-4-amine
CID 60871661
N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 71967798
N-methyl-N-(3-methylbut-2-enyl)-1,1-dioxothian-4-amine
CID 71976355
4-(2-Chloroprop-2-enyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 72004901
N-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine
CID 78823523
N-(2-bromoprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine
CID 84591206
cis-(1R,2S)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 97605306
trans-(1S,2S)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 97605307
4-[2-(Chloromethyl)prop-2-enyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 103067995
trans-(1R,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 129421942
cis-(1S,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 129421943

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine (CID 84591207) is N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine is C=C(Cl)CN(C)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine?
The InChIKey is FWEIAYSZJUWQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2S/c1-8(10)7-11(2)9-3-5-14(12,13)6-4-9/h9H,1,3-7H2,2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine?
N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine has a molecular weight of 237.75 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine is sourced from PubChem (CID 84591207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).