N-(2-adamantyl)-3-(sulfamoylamino)propanamide

C13H23N3O3S — CID 134204071

IUPACN-(2-adamantyl)-3-(sulfamoylamino)propanamide
SMILESNS(=O)(=O)NCCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H23N3O3S/c14-20(18,19)15-2-1-12(17)16-13-10-4-8-3-9(6-10)7-11(13)5-8/h8-11,13,15H,1-7H2,(H,16,17)(H2,14,18,19)
InChIKeyIUDDNKYCEZVCMD-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.11
Rot. Bonds5

About N-(2-adamantyl)-3-(sulfamoylamino)propanamide

N-(2-adamantyl)-3-(sulfamoylamino)propanamide (PubChem CID 134204071) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-adamantyl)-3-(sulfamoylamino)propanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-(sulfamoylamino)propanamide
PubChem CID134204071
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-(2-adamantyl)-3-(sulfamoylamino)propanamide
SMILESNS(=O)(=O)NCCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H23N3O3S/c14-20(18,19)15-2-1-12(17)16-13-10-4-8-3-9(6-10)7-11(13)5-8/h8-11,13,15H,1-7H2,(H,16,17)(H2,14,18,19)
InChIKeyIUDDNKYCEZVCMD-UHFFFAOYSA-N
XLogP0.11
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-(sulfamoylamino)propanamide?
The IUPAC name of N-(2-adamantyl)-3-(sulfamoylamino)propanamide (CID 134204071) is N-(2-adamantyl)-3-(sulfamoylamino)propanamide.
What is the SMILES notation for N-(2-adamantyl)-3-(sulfamoylamino)propanamide?
The canonical SMILES for N-(2-adamantyl)-3-(sulfamoylamino)propanamide is NS(=O)(=O)NCCC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-3-(sulfamoylamino)propanamide?
The InChIKey is IUDDNKYCEZVCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c14-20(18,19)15-2-1-12(17)16-13-10-4-8-3-9(6-10)7-11(13)5-8/h8-11,13,15H,1-7H2,(H,16,17)(H2,14,18,19).
What are the key properties of N-(2-adamantyl)-3-(sulfamoylamino)propanamide?
N-(2-adamantyl)-3-(sulfamoylamino)propanamide has a molecular weight of 301.41 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-(sulfamoylamino)propanamide is sourced from PubChem (CID 134204071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).