3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide

C15H30N2O3S — CID 113140842

IUPAC3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide
SMILESCC(C)(C)N(CCC(=O)NC1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H30N2O3S/c1-15(2,3)17(21(4,19)20)12-11-14(18)16-13-9-7-5-6-8-10-13/h13H,5-12H2,1-4H3,(H,16,18)
InChIKeyPKTVDQJFKLBHNE-UHFFFAOYSA-N
MW318.48 g/mol
LogP2.28
Rot. Bonds5

About 3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide

3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide (PubChem CID 113140842) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is 3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide
PubChem CID113140842
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide
SMILESCC(C)(C)N(CCC(=O)NC1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C15H30N2O3S/c1-15(2,3)17(21(4,19)20)12-11-14(18)16-13-9-7-5-6-8-10-13/h13H,5-12H2,1-4H3,(H,16,18)
InChIKeyPKTVDQJFKLBHNE-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[tert-butyl(methylsulfonyl)amino]-N-cyclopentylpropanamide
CID 113140775
1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea
CID 113068057
N-cyclohexyl-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136251
2-[tert-butyl(methylsulfonyl)amino]-N-cyclopropylacetamide
CID 113152828
N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138370
N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide
CID 113140503
N-cyclohexyl-3-(dipropylamino)propanamide
CID 109014002
N-cyclohexyl-3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 78964192
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
N-cyclohexyl-3-[(4-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138969
3-[acetyl(cyclopentyl)amino]-N-cyclopentylpropanamide
CID 113116313
N-cyclooctylbutanamide
CID 4614062

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide?
The IUPAC name of 3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide (CID 113140842) is 3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide.
What is the SMILES notation for 3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide?
The canonical SMILES for 3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide is CC(C)(C)N(CCC(=O)NC1CCCCCC1)S(C)(=O)=O.
What is the InChIKey of 3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide?
The InChIKey is PKTVDQJFKLBHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-15(2,3)17(21(4,19)20)12-11-14(18)16-13-9-7-5-6-8-10-13/h13H,5-12H2,1-4H3,(H,16,18).
What are the key properties of 3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide?
3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide has a molecular weight of 318.48 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide is sourced from PubChem (CID 113140842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).