2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C16H21NO3S2 — CID 9210774

IUPAC2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C16H21NO3S2/c18-16(10-21-13-8-9-22(19,20)11-13)17-15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,13,15H,3,5,7-11H2,(H,17,18)/t13-,15-/m0/s1
InChIKeyKKFUXZUGPQMPOW-ZFWWWQNUSA-N
MW339.48 g/mol
LogP2.10
Rot. Bonds4

About 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 9210774) has the molecular formula C16H21NO3S2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID9210774
Molecular FormulaC16H21NO3S2
Molecular Weight339.48 g/mol
Exact Mass339.10
IUPAC Name2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C16H21NO3S2/c18-16(10-21-13-8-9-22(19,20)11-13)17-15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,13,15H,3,5,7-11H2,(H,17,18)/t13-,15-/m0/s1
InChIKeyKKFUXZUGPQMPOW-ZFWWWQNUSA-N
XLogP2.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
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CID 2707705
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate
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2-(1-methylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133204363
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CID 2543502
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CID 6596911
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
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CID 69220088
2-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212937
2-(1-hydroxycyclopentyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111430151
1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea
CID 47127977
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 9210774) is 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is KKFUXZUGPQMPOW-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H21NO3S2/c18-16(10-21-13-8-9-22(19,20)11-13)17-15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,13,15H,3,5,7-11H2,(H,17,18)/t13-,15-/m0/s1.
What are the key properties of 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 339.48 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 9210774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).