1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide

C10H22N2O4S2 — CID 106608529

IUPAC1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESCCCN(CC1CCCN1)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S2/c1-3-7-12(8-10-5-4-6-11-10)18(15,16)9-17(2,13)14/h10-11H,3-9H2,1-2H3
InChIKeyWXHPVMBMVWDYRT-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.22
Rot. Bonds7

About 1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide

1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (PubChem CID 106608529) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
PubChem CID106608529
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC Name1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESCCCN(CC1CCCN1)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S2/c1-3-7-12(8-10-5-4-6-11-10)18(15,16)9-17(2,13)14/h10-11H,3-9H2,1-2H3
InChIKeyWXHPVMBMVWDYRT-UHFFFAOYSA-N
XLogP-0.22
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106608788
1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide
CID 82842868
N-(dipropylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599557
N-(piperidin-2-ylmethyl)-N-propylcyclohexanesulfonamide
CID 106630664
N-butyl-1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106609116
N-butyl-N-(pyrrolidin-2-ylmethyl)prop-2-ene-1-sulfonamide
CID 106609362
2-[[cyclopropylsulfamoyl(propyl)amino]methyl]piperidine
CID 106630652
3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106608418
1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607994
N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615294
2,4-dibromo-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608617
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (CID 106608529) is 1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is CCCN(CC1CCCN1)S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The InChIKey is WXHPVMBMVWDYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c1-3-7-12(8-10-5-4-6-11-10)18(15,16)9-17(2,13)14/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide has a molecular weight of 298.43 g/mol, XLogP of -0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-propyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 106608529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).