N-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine

C10H21ClN2O2S — CID 165491187

IUPACN-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)CC1CCN(S(=O)(=O)CCl)C1
InChIInChI=1S/C10H21ClN2O2S/c1-3-5-12(2)7-10-4-6-13(8-10)16(14,15)9-11/h10H,3-9H2,1-2H3
InChIKeyMCFDRXAJDCTVAC-UHFFFAOYSA-N
MW268.81 g/mol
LogP1.18
Rot. Bonds6

About N-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine

N-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine (PubChem CID 165491187) has the molecular formula C10H21ClN2O2S and a molecular weight of 268.81 g/mol. Its IUPAC name is N-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
PubChem CID165491187
Molecular FormulaC10H21ClN2O2S
Molecular Weight268.81 g/mol
Exact Mass268.10
IUPAC NameN-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)CC1CCN(S(=O)(=O)CCl)C1
InChIInChI=1S/C10H21ClN2O2S/c1-3-5-12(2)7-10-4-6-13(8-10)16(14,15)9-11/h10H,3-9H2,1-2H3
InChIKeyMCFDRXAJDCTVAC-UHFFFAOYSA-N
XLogP1.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-chlorobutylsulfonyl)piperidin-4-yl]methyl]-N-methylbutan-1-amine
CID 116815452
N-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]butan-1-amine
CID 64585741
[1-(chloromethylsulfonyl)piperidin-4-yl]methanol
CID 63664501
N-(2-chloroethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 79622478
N,N-dimethyl-1-(1-propylsulfonylpiperidin-4-yl)methanamine
CID 64586135
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
3-amino-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 119895941
3-(2,2-dimethylpropyl)-1-propylsulfonylpyrrolidine
CID 164775491
ethane;2-methylbut-2-ene;N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 142068067
3-(2-hydroxyethyl)-N,N-dipropylpyrrolidine-1-sulfonamide
CID 115744998
3-(2-chloroethyl)-1-(2,2-dimethylpropylsulfonyl)pyrrolidine
CID 114801945
(2S)-2-amino-4-methyl-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]pentan-1-one
CID 119895957

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine (CID 165491187) is N-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine is CCCN(C)CC1CCN(S(=O)(=O)CCl)C1.
What is the InChIKey of N-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine?
The InChIKey is MCFDRXAJDCTVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O2S/c1-3-5-12(2)7-10-4-6-13(8-10)16(14,15)9-11/h10H,3-9H2,1-2H3.
What are the key properties of N-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine?
N-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 268.81 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethylsulfonyl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 165491187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).