2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C10H19NO4S2 — CID 66128070

IUPAC2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)CSCCCO)CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO4S2/c1-10(3-6-17(14,15)8-10)11-9(13)7-16-5-2-4-12/h12H,2-8H2,1H3,(H,11,13)
InChIKeyLIFGMFTZPHTZTH-UHFFFAOYSA-N
MW281.40 g/mol
LogP-0.20
Rot. Bonds6

About 2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 66128070) has the molecular formula C10H19NO4S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID66128070
Molecular FormulaC10H19NO4S2
Molecular Weight281.40 g/mol
Exact Mass281.08
IUPAC Name2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)CSCCCO)CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO4S2/c1-10(3-6-17(14,15)8-10)11-9(13)7-16-5-2-4-12/h12H,2-8H2,1H3,(H,11,13)
InChIKeyLIFGMFTZPHTZTH-UHFFFAOYSA-N
XLogP-0.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65442870
2-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 16768977
3-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 43697281
2-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43237327
2-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 34274909
5-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60940763
5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pentanamide
CID 43697288
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 51146174
2-[(3-chlorophenyl)methylsulfanyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 94332857
2-(4-chlorophenyl)sulfanyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7816357
3,3,3-trifluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 146124342
2-(1-aminocyclopentyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 64685407

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 66128070) is 2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CC1(NC(=O)CSCCCO)CCS(=O)(=O)C1.
What is the InChIKey of 2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is LIFGMFTZPHTZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S2/c1-10(3-6-17(14,15)8-10)11-9(13)7-16-5-2-4-12/h12H,2-8H2,1H3,(H,11,13).
What are the key properties of 2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 281.40 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 66128070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).