N-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide

C13H26N2O3S — CID 152873653

IUPACN-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)CCCNC1CCCCC1
InChIInChI=1S/C13H26N2O3S/c1-11(2)13(16)15-19(17,18)10-6-9-14-12-7-4-3-5-8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyTZWYTVAQMAOANT-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.40
Rot. Bonds7

About N-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide

N-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide (PubChem CID 152873653) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide
PubChem CID152873653
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide
SMILESCC(C)C(=O)NS(=O)(=O)CCCNC1CCCCC1
InChIInChI=1S/C13H26N2O3S/c1-11(2)13(16)15-19(17,18)10-6-9-14-12-7-4-3-5-8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyTZWYTVAQMAOANT-UHFFFAOYSA-N
XLogP1.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide?
The IUPAC name of N-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide (CID 152873653) is N-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide is CC(C)C(=O)NS(=O)(=O)CCCNC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide?
The InChIKey is TZWYTVAQMAOANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-11(2)13(16)15-19(17,18)10-6-9-14-12-7-4-3-5-8-12/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide?
N-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide has a molecular weight of 290.43 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)propylsulfonyl]-2-methylpropanamide is sourced from PubChem (CID 152873653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).