N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide

C20H34N2O3S — CID 112843919

IUPACN-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)CCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C20H34N2O3S/c1-21(15-20-12-16-9-17(13-20)11-18(10-16)14-20)19(23)5-4-8-26(24,25)22-6-2-3-7-22/h16-18H,2-15H2,1H3
InChIKeyULZWVEBAQYILKY-UHFFFAOYSA-N
MW382.57 g/mol
LogP2.87
Rot. Bonds7

About N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide

N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide (PubChem CID 112843919) has the molecular formula C20H34N2O3S and a molecular weight of 382.57 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide
PubChem CID112843919
Molecular FormulaC20H34N2O3S
Molecular Weight382.57 g/mol
Exact Mass382.23
IUPAC NameN-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)CCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C20H34N2O3S/c1-21(15-20-12-16-9-17(13-20)11-18(10-16)14-20)19(23)5-4-8-26(24,25)22-6-2-3-7-22/h16-18H,2-15H2,1H3
InChIKeyULZWVEBAQYILKY-UHFFFAOYSA-N
XLogP2.87
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide?
The IUPAC name of N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide (CID 112843919) is N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide.
What is the SMILES notation for N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide?
The canonical SMILES for N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CCCS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide?
The InChIKey is ULZWVEBAQYILKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3S/c1-21(15-20-12-16-9-17(13-20)11-18(10-16)14-20)19(23)5-4-8-26(24,25)22-6-2-3-7-22/h16-18H,2-15H2,1H3.
What are the key properties of N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide?
N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide has a molecular weight of 382.57 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylsulfonylbutanamide is sourced from PubChem (CID 112843919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).