N-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide

C13H24N2O4S2 — CID 79701122

IUPACN-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)N(CC2CCNCC2)C2CC2)C1
InChIInChI=1S/C13H24N2O4S2/c16-20(17)8-5-13(10-20)21(18,19)15(12-1-2-12)9-11-3-6-14-7-4-11/h11-14H,1-10H2
InChIKeyODTDTCNMFXOQMY-UHFFFAOYSA-N
MW336.48 g/mol
LogP-0.03
Rot. Bonds5

About N-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide

N-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide (PubChem CID 79701122) has the molecular formula C13H24N2O4S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide
PubChem CID79701122
Molecular FormulaC13H24N2O4S2
Molecular Weight336.48 g/mol
Exact Mass336.12
IUPAC NameN-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)N(CC2CCNCC2)C2CC2)C1
InChIInChI=1S/C13H24N2O4S2/c16-20(17)8-5-13(10-20)21(18,19)15(12-1-2-12)9-11-3-6-14-7-4-11/h11-14H,1-10H2
InChIKeyODTDTCNMFXOQMY-UHFFFAOYSA-N
XLogP-0.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-sulfonamide
CID 60807458
N-cyclobutyl-N-(3-hydroxypropyl)-1,1-dioxothiolane-3-sulfonamide
CID 102867547
N-cyclopropyl-1-methylsulfonyl-N-(piperidin-4-ylmethyl)methanesulfonamide
CID 82843062
N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine
CID 79707253
4-[cyclopropylmethyl(sulfamoyl)amino]piperidine
CID 167049531
N-(dipropylsulfamoyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79702592
N-cyclopropyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79717324
1-cyano-N-cyclopropyl-N-(piperidin-4-ylmethyl)ethanesulfonamide
CID 79717240
2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid
CID 79717086
N-methyl-N-(piperidin-4-ylmethyl)propane-2-sulfonamide
CID 79717302
methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate
CID 79717402
2-[cyclopentylsulfonyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 105360727

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide?
The IUPAC name of N-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide (CID 79701122) is N-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)N(CC2CCNCC2)C2CC2)C1.
What is the InChIKey of N-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide?
The InChIKey is ODTDTCNMFXOQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S2/c16-20(17)8-5-13(10-20)21(18,19)15(12-1-2-12)9-11-3-6-14-7-4-11/h11-14H,1-10H2.
What are the key properties of N-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide?
N-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide has a molecular weight of 336.48 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thiolane-3-sulfonamide is sourced from PubChem (CID 79701122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).