1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide

C11H24N2O4S2 — CID 82842964

IUPAC1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CC1CCNCC1)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S2/c1-10(2)13(8-11-4-6-12-7-5-11)19(16,17)9-18(3,14)15/h10-12H,4-9H2,1-3H3
InChIKeyBIXCKCMYFNARDV-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.03
Rot. Bonds6

About 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide

1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 82842964) has the molecular formula C11H24N2O4S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide
PubChem CID82842964
Molecular FormulaC11H24N2O4S2
Molecular Weight312.46 g/mol
Exact Mass312.12
IUPAC Name1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CC1CCNCC1)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C11H24N2O4S2/c1-10(2)13(8-11-4-6-12-7-5-11)19(16,17)9-18(3,14)15/h10-12H,4-9H2,1-3H3
InChIKeyBIXCKCMYFNARDV-UHFFFAOYSA-N
XLogP0.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 82842676
N-cyclopropyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 82843062
1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propylmethanesulfonamide
CID 82842868
N-(cyclopropylmethyl)-N-propan-2-ylethanesulfonamide
CID 63738150
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
N-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide
CID 54999539
4-bromo-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 79701262
N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide
CID 79717302
N-ethyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 79717314
1-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrazole-4-sulfonamide
CID 79717482
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
1-methylsulfonyl-N-(1-piperidin-4-ylethyl)methanesulfonamide
CID 82842428

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide (CID 82842964) is 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CC1CCNCC1)S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is BIXCKCMYFNARDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S2/c1-10(2)13(8-11-4-6-12-7-5-11)19(16,17)9-18(3,14)15/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide?
1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 312.46 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 82842964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).