N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide

C13H24N2O6S2 — CID 113137971

IUPACN-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCS(=O)(=O)C1)CC1CCCO1
InChIInChI=1S/C13H24N2O6S2/c1-22(17,18)15(9-12-3-2-7-21-12)6-4-13(16)14-11-5-8-23(19,20)10-11/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyJNBHWZVQRDVLKO-UHFFFAOYSA-N
MW368.48 g/mol
LogP-0.88
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide

N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide (PubChem CID 113137971) has the molecular formula C13H24N2O6S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
PubChem CID113137971
Molecular FormulaC13H24N2O6S2
Molecular Weight368.48 g/mol
Exact Mass368.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCS(=O)(=O)C1)CC1CCCO1
InChIInChI=1S/C13H24N2O6S2/c1-22(17,18)15(9-12-3-2-7-21-12)6-4-13(16)14-11-5-8-23(19,20)10-11/h11-12H,2-10H2,1H3,(H,14,16)
InChIKeyJNBHWZVQRDVLKO-UHFFFAOYSA-N
XLogP-0.88
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[butyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113136680
2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113160234
N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113137927
N-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139225
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138003
N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide
CID 113140503
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 113137944
N-(1,1-dioxothiolan-3-yl)-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
CID 113149272
N-(1,1-dioxothiolan-3-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 109026291
N-(1,1-dioxothiolan-3-yl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149462
3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
CID 113066133
1,3-bis(1,1-dioxothiolan-3-yl)-1-(oxolan-2-ylmethyl)thiourea
CID 3788612

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide (CID 113137971) is N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide is CS(=O)(=O)N(CCC(=O)NC1CCS(=O)(=O)C1)CC1CCCO1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
The InChIKey is JNBHWZVQRDVLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O6S2/c1-22(17,18)15(9-12-3-2-7-21-12)6-4-13(16)14-11-5-8-23(19,20)10-11/h11-12H,2-10H2,1H3,(H,14,16).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide has a molecular weight of 368.48 g/mol, XLogP of -0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 113137971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).