N-(4-propan-2-yl-1-adamantyl)methanesulfonamide

C14H25NO2S — CID 59495975

IUPACN-(4-propan-2-yl-1-adamantyl)methanesulfonamide
SMILESCC(C)C1C2CC3CC1CC(NS(C)(=O)=O)(C3)C2
InChIInChI=1S/C14H25NO2S/c1-9(2)13-11-4-10-5-12(13)8-14(6-10,7-11)15-18(3,16)17/h9-13,15H,4-8H2,1-3H3
InChIKeyIGCBXBDCRJNCOM-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.39
Rot. Bonds3

About N-(4-propan-2-yl-1-adamantyl)methanesulfonamide

N-(4-propan-2-yl-1-adamantyl)methanesulfonamide (PubChem CID 59495975) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(4-propan-2-yl-1-adamantyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1-adamantyl)methanesulfonamide
PubChem CID59495975
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC NameN-(4-propan-2-yl-1-adamantyl)methanesulfonamide
SMILESCC(C)C1C2CC3CC1CC(NS(C)(=O)=O)(C3)C2
InChIInChI=1S/C14H25NO2S/c1-9(2)13-11-4-10-5-12(13)8-14(6-10,7-11)15-18(3,16)17/h9-13,15H,4-8H2,1-3H3
InChIKeyIGCBXBDCRJNCOM-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1-adamantyl)methanesulfonamide?
The IUPAC name of N-(4-propan-2-yl-1-adamantyl)methanesulfonamide (CID 59495975) is N-(4-propan-2-yl-1-adamantyl)methanesulfonamide.
What is the SMILES notation for N-(4-propan-2-yl-1-adamantyl)methanesulfonamide?
The canonical SMILES for N-(4-propan-2-yl-1-adamantyl)methanesulfonamide is CC(C)C1C2CC3CC1CC(NS(C)(=O)=O)(C3)C2.
What is the InChIKey of N-(4-propan-2-yl-1-adamantyl)methanesulfonamide?
The InChIKey is IGCBXBDCRJNCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-9(2)13-11-4-10-5-12(13)8-14(6-10,7-11)15-18(3,16)17/h9-13,15H,4-8H2,1-3H3.
What are the key properties of N-(4-propan-2-yl-1-adamantyl)methanesulfonamide?
N-(4-propan-2-yl-1-adamantyl)methanesulfonamide has a molecular weight of 271.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1-adamantyl)methanesulfonamide is sourced from PubChem (CID 59495975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).