N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine

C11H15ClN2O2S — CID 114600015

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
SMILESCS(=O)(=O)c1cccnc1NCC1(CCl)CC1
InChIInChI=1S/C11H15ClN2O2S/c1-17(15,16)9-3-2-6-13-10(9)14-8-11(7-12)4-5-11/h2-3,6H,4-5,7-8H2,1H3,(H,13,14)
InChIKeyQCXBZJLSUHATBW-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.92
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine

N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine (PubChem CID 114600015) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
PubChem CID114600015
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
SMILESCS(=O)(=O)c1cccnc1NCC1(CCl)CC1
InChIInChI=1S/C11H15ClN2O2S/c1-17(15,16)9-3-2-6-13-10(9)14-8-11(7-12)4-5-11/h2-3,6H,4-5,7-8H2,1H3,(H,13,14)
InChIKeyQCXBZJLSUHATBW-UHFFFAOYSA-N
XLogP1.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 106544677
[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 114599025
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 105419005
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluoropyridin-2-amine
CID 115455727
4-methyl-1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 114598931
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylpyrazin-2-amine
CID 83062656
N-[[4-(chloromethyl)phenyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 107233152
N-[[1-(chloromethyl)cyclopropyl]methyl]pyrimidin-2-amine
CID 115455827
3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
CID 114598823
N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114599239
N-[[1-(chloromethyl)cyclopropyl]methyl]-2,4-bis(methylsulfonyl)aniline
CID 115455744
3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
CID 106214723

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine (CID 114600015) is N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine is CS(=O)(=O)c1cccnc1NCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine?
The InChIKey is QCXBZJLSUHATBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-17(15,16)9-3-2-6-13-10(9)14-8-11(7-12)4-5-11/h2-3,6H,4-5,7-8H2,1H3,(H,13,14).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine?
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine has a molecular weight of 274.77 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 114600015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).