N-(1-adamantyl)-N-methylbutane-1-sulfonamide

C15H27NO2S — CID 22204483

IUPACN-(1-adamantyl)-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NO2S/c1-3-4-5-19(17,18)16(2)15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,3-11H2,1-2H3
InChIKeyOLVOLRASLZHPNM-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.02
Rot. Bonds5

About N-(1-adamantyl)-N-methylbutane-1-sulfonamide

N-(1-adamantyl)-N-methylbutane-1-sulfonamide (PubChem CID 22204483) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is N-(1-adamantyl)-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N-methylbutane-1-sulfonamide
PubChem CID22204483
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC NameN-(1-adamantyl)-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NO2S/c1-3-4-5-19(17,18)16(2)15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,3-11H2,1-2H3
InChIKeyOLVOLRASLZHPNM-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-methylbutane-1-sulfonamide?
The IUPAC name of N-(1-adamantyl)-N-methylbutane-1-sulfonamide (CID 22204483) is N-(1-adamantyl)-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(1-adamantyl)-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-(1-adamantyl)-N-methylbutane-1-sulfonamide is CCCCS(=O)(=O)N(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-N-methylbutane-1-sulfonamide?
The InChIKey is OLVOLRASLZHPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-3-4-5-19(17,18)16(2)15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(1-adamantyl)-N-methylbutane-1-sulfonamide?
N-(1-adamantyl)-N-methylbutane-1-sulfonamide has a molecular weight of 285.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 22204483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).