N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine

C10H18ClNO2S — CID 71967798

IUPACN-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESC=C(Cl)CN(C)C1CCCC1S(C)(=O)=O
InChIInChI=1S/C10H18ClNO2S/c1-8(11)7-12(2)9-5-4-6-10(9)15(3,13)14/h9-10H,1,4-7H2,2-3H3
InChIKeyFFSMKHLQHIVSPN-UHFFFAOYSA-N
MW251.78 g/mol
LogP1.64
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine

N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine (PubChem CID 71967798) has the molecular formula C10H18ClNO2S and a molecular weight of 251.78 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
PubChem CID71967798
Molecular FormulaC10H18ClNO2S
Molecular Weight251.78 g/mol
Exact Mass251.07
IUPAC NameN-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESC=C(Cl)CN(C)C1CCCC1S(C)(=O)=O
InChIInChI=1S/C10H18ClNO2S/c1-8(11)7-12(2)9-5-4-6-10(9)15(3,13)14/h9-10H,1,4-7H2,2-3H3
InChIKeyFFSMKHLQHIVSPN-UHFFFAOYSA-N
XLogP1.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-(3-methylsulfonylpropyl)cyclopentanamine
CID 63389277
N-methyl-N-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine
CID 71923098
N-butyl-N-(2-chloroprop-2-enyl)-1,1-dioxothiolan-3-amine
CID 78823523
N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 84591142
N-(2-chloroprop-2-enyl)-N-methyl-1,1-dioxothian-4-amine
CID 84591207
cis-(1R,2S)-N-methyl-N-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine
CID 97003809
trans-(1S,2S)-N-methyl-N-(3-methylbut-2-enyl)-2-methylsulfonylcyclopentan-1-amine
CID 97003810
cis-(1R,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 97238699
trans-(1S,2S)-N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 97238700
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
N-(2-chloroprop-2-enyl)-2-methylsulfonylcyclopentan-1-amine
CID 115901346

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine (CID 71967798) is N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine is C=C(Cl)CN(C)C1CCCC1S(C)(=O)=O.
What is the InChIKey of N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is FFSMKHLQHIVSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2S/c1-8(11)7-12(2)9-5-4-6-10(9)15(3,13)14/h9-10H,1,4-7H2,2-3H3.
What are the key properties of N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 251.78 g/mol, XLogP of 1.64, 4 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-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 71967798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).