1-[1-(3-chlorophenyl)sulfonylcyclopropyl]-N-methylmethanamine

C11H14ClNO2S — CID 117037492

IUPAC1-[1-(3-chlorophenyl)sulfonylcyclopropyl]-N-methylmethanamine
SMILESCNCC1(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C11H14ClNO2S/c1-13-8-11(5-6-11)16(14,15)10-4-2-3-9(12)7-10/h2-4,7,13H,5-6,8H2,1H3
InChIKeyOKKSRWAUSFVHSL-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.87
Rot. Bonds4

About 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]-N-methylmethanamine

1-[1-(3-chlorophenyl)sulfonylcyclopropyl]-N-methylmethanamine (PubChem CID 117037492) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)sulfonylcyclopropyl]-N-methylmethanamine
PubChem CID117037492
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name1-[1-(3-chlorophenyl)sulfonylcyclopropyl]-N-methylmethanamine
SMILESCNCC1(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C11H14ClNO2S/c1-13-8-11(5-6-11)16(14,15)10-4-2-3-9(12)7-10/h2-4,7,13H,5-6,8H2,1H3
InChIKeyOKKSRWAUSFVHSL-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-chlorophenyl)sulfonylcyclopropyl]ethanone
CID 115048354
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
1-[1-[(3-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024867
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
bis(3-chlorobenzenesulfonate);mercury(2+)
CID 22604170
(3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane
CID 134690739
3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125443896
1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62726411
propyl 3-chlorobenzenesulfonate
CID 71397620
(1-ethylcyclopropyl)sulfonylbenzene
CID 70894852
3-chlorobenzenesulfonohydrazide
CID 12924057
3-chloro-N-ethoxybenzenesulfonamide
CID 60700498

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]-N-methylmethanamine (CID 117037492) is 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]-N-methylmethanamine is CNCC1(S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]-N-methylmethanamine?
The InChIKey is OKKSRWAUSFVHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-13-8-11(5-6-11)16(14,15)10-4-2-3-9(12)7-10/h2-4,7,13H,5-6,8H2,1H3.
What are the key properties of 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]-N-methylmethanamine?
1-[1-(3-chlorophenyl)sulfonylcyclopropyl]-N-methylmethanamine has a molecular weight of 259.76 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)sulfonylcyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 117037492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).