1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine

C10H21ClN2O2S — CID 62889427

IUPAC1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1S(=O)(=O)CCCCl
InChIInChI=1S/C10H21ClN2O2S/c1-12(2)9-10-5-3-7-13(10)16(14,15)8-4-6-11/h10H,3-9H2,1-2H3
InChIKeyUUPLQNWGGYBHMK-UHFFFAOYSA-N
MW268.81 g/mol
LogP0.97
Rot. Bonds6

About 1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 62889427) has the molecular formula C10H21ClN2O2S and a molecular weight of 268.81 g/mol. Its IUPAC name is 1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID62889427
Molecular FormulaC10H21ClN2O2S
Molecular Weight268.81 g/mol
Exact Mass268.10
IUPAC Name1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1S(=O)(=O)CCCCl
InChIInChI=1S/C10H21ClN2O2S/c1-12(2)9-10-5-3-7-13(10)16(14,15)8-4-6-11/h10H,3-9H2,1-2H3
InChIKeyUUPLQNWGGYBHMK-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 62889427) is 1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1S(=O)(=O)CCCCl.
What is the InChIKey of 1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is UUPLQNWGGYBHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O2S/c1-12(2)9-10-5-3-7-13(10)16(14,15)8-4-6-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 268.81 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 62889427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).