N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide

C14H26N2O5S2 — CID 113140503

IUPACN-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O5S2/c1-22(18,19)16(13-8-10-23(20,21)11-13)9-7-14(17)15-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyUUGXUODAUJZGGD-UHFFFAOYSA-N
MW366.51 g/mol
LogP0.27
Rot. Bonds6

About N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide

N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide (PubChem CID 113140503) has the molecular formula C14H26N2O5S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide
PubChem CID113140503
Molecular FormulaC14H26N2O5S2
Molecular Weight366.51 g/mol
Exact Mass366.13
IUPAC NameN-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O5S2/c1-22(18,19)16(13-8-10-23(20,21)11-13)9-7-14(17)15-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyUUGXUODAUJZGGD-UHFFFAOYSA-N
XLogP0.27
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136251
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-phenylpropanamide
CID 113140540
N-(1,1-dioxothiolan-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113140500
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide
CID 113140538
N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 109026291
N-cycloheptyl-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138370
N-cycloheptyl-2-[cyclopentyl(methylsulfonyl)amino]acetamide
CID 113148899
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide
CID 7260297
2-[cyclohexyl(methylsulfonyl)amino]-N-cyclooctylacetamide
CID 2986754
3-[tert-butyl(methylsulfonyl)amino]-N-cycloheptylpropanamide
CID 113140842
N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)oxamide
CID 108527178
3-[butyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113136680

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide?
The IUPAC name of N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide (CID 113140503) is N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide is CS(=O)(=O)N(CCC(=O)NC1CCCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide?
The InChIKey is UUGXUODAUJZGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5S2/c1-22(18,19)16(13-8-10-23(20,21)11-13)9-7-14(17)15-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,15,17).
What are the key properties of N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide?
N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide has a molecular weight of 366.51 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide is sourced from PubChem (CID 113140503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).