trans-(1R,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine

C10H18ClNO2S — CID 129421942

IUPACtrans-(1R,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESC=C(Cl)CN(C)[C@@H]1CCC[C@H]1S(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/t9-,10-/m1/s1
InChIKeyFFSMKHLQHIVSPN-NXEZZACHSA-N
MW251.78 g/mol
LogP1.64
Rot. Bonds4

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

trans-(1R,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine (PubChem CID 129421942) has the molecular formula C10H18ClNO2S and a molecular weight of 251.78 g/mol. Its IUPAC name is trans-(1R,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
PubChem CID129421942
Molecular FormulaC10H18ClNO2S
Molecular Weight251.78 g/mol
Exact Mass251.07
IUPAC Nametrans-(1R,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESC=C(Cl)CN(C)[C@@H]1CCC[C@H]1S(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/t9-,10-/m1/s1
InChIKeyFFSMKHLQHIVSPN-NXEZZACHSA-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

Analyze trans-(1R,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine (CID 129421942) is trans-(1R,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine is C=C(Cl)CN(C)[C@@H]1CCC[C@H]1S(C)(=O)=O.
What is the InChIKey of trans-(1R,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is FFSMKHLQHIVSPN-NXEZZACHSA-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/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine?
trans-(1R,2R)-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 trans-(1R,2R)-N-(2-chloroprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 129421942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).