N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide

C10H17NO4S2 — CID 61354879

IUPACN-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide
SMILESC#CCN(C1CCS(=O)(=O)C1)S(=O)(=O)C(C)C
InChIInChI=1S/C10H17NO4S2/c1-4-6-11(17(14,15)9(2)3)10-5-7-16(12,13)8-10/h1,9-10H,5-8H2,2-3H3
InChIKeyPCMQJRWHMAJWJV-UHFFFAOYSA-N
MW279.38 g/mol
LogP-0.15
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide

N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide (PubChem CID 61354879) has the molecular formula C10H17NO4S2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide
PubChem CID61354879
Molecular FormulaC10H17NO4S2
Molecular Weight279.38 g/mol
Exact Mass279.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide
SMILESC#CCN(C1CCS(=O)(=O)C1)S(=O)(=O)C(C)C
InChIInChI=1S/C10H17NO4S2/c1-4-6-11(17(14,15)9(2)3)10-5-7-16(12,13)8-10/h1,9-10H,5-8H2,2-3H3
InChIKeyPCMQJRWHMAJWJV-UHFFFAOYSA-N
XLogP-0.15
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylazepane-1-sulfonamide
CID 60542629
N-(1,1-dioxothiolan-3-yl)-2,3,5,6-tetramethyl-N-prop-2-ynylbenzenesulfonamide
CID 60542288
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylbenzenesulfonamide
CID 55913299
(3S)-N-[2-(2-methylpropoxy)ethyl]-1,1-dioxo-N-prop-2-ynylthiolan-3-amine
CID 124851494
2-[(1,1-dioxothiolan-3-yl)-ethylsulfamoyl]propanoic acid
CID 61454198
2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62568820
N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropanamide
CID 63374585
N-(1,1-dioxothiolan-3-yl)-2-nitro-N-prop-2-ynylbenzenesulfonamide
CID 55913300
2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylsulfonyl-N-prop-2-ynylbutanamide
CID 60953594
N-(1,1-dioxothiolan-3-yl)-3-oxo-N-prop-2-ynylbutanamide
CID 54876509
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynyl-5-(trifluoromethyl)benzenesulfonamide
CID 60542290
1-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylmethanesulfonamide
CID 83084951

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide (CID 61354879) is N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide is C#CCN(C1CCS(=O)(=O)C1)S(=O)(=O)C(C)C.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide?
The InChIKey is PCMQJRWHMAJWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S2/c1-4-6-11(17(14,15)9(2)3)10-5-7-16(12,13)8-10/h1,9-10H,5-8H2,2-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide?
N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide has a molecular weight of 279.38 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylpropane-2-sulfonamide is sourced from PubChem (CID 61354879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).