N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide

C10H13NO4S — CID 99976891

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide
SMILESO=CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H13NO4S/c12-8-11(6-10-2-1-4-15-10)9-3-5-16(13,14)7-9/h1-2,4,8-9H,3,5-7H2/t9-/m0/s1
InChIKeyKCZMWPSOGCDCBT-VIFPVBQESA-N
MW243.28 g/mol
LogP0.43
Rot. Bonds4

About N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide (PubChem CID 99976891) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide
PubChem CID99976891
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide
SMILESO=CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H13NO4S/c12-8-11(6-10-2-1-4-15-10)9-3-5-16(13,14)7-9/h1-2,4,8-9H,3,5-7H2/t9-/m0/s1
InChIKeyKCZMWPSOGCDCBT-VIFPVBQESA-N
XLogP0.43
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 7546676
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 102565822
N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3759925
4-[[(1,1-dioxothiolan-3-yl)-(furan-2-ylmethyl)amino]methyl]benzonitrile
CID 42919726
N-[(3S)-1,1-dioxothiolan-3-yl]-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 7379163
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 8019928
3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 3433782
N-cyclopentyl-2-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]acetamide
CID 38370943
(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 33094541
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]-formylamino]ethyl]formamide
CID 99976773
2-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-N-(methylcarbamoyl)acetamide
CID 94016788
3-[acetyl(furan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113118032

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide (CID 99976891) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide is O=CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide?
The InChIKey is KCZMWPSOGCDCBT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO4S/c12-8-11(6-10-2-1-4-15-10)9-3-5-16(13,14)7-9/h1-2,4,8-9H,3,5-7H2/t9-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide has a molecular weight of 243.28 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)formamide is sourced from PubChem (CID 99976891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).