N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide

C9H19NO4S2 — CID 7260297

IUPACN-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide
SMILESCCCCN([C@@H]1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C9H19NO4S2/c1-3-4-6-10(15(2,11)12)9-5-7-16(13,14)8-9/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyVMFDLSVZMOPWHH-SECBINFHSA-N
MW269.39 g/mol
LogP0.24
Rot. Bonds5

About N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide

N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide (PubChem CID 7260297) has the molecular formula C9H19NO4S2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide
PubChem CID7260297
Molecular FormulaC9H19NO4S2
Molecular Weight269.39 g/mol
Exact Mass269.08
IUPAC NameN-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide
SMILESCCCCN([C@@H]1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C9H19NO4S2/c1-3-4-6-10(15(2,11)12)9-5-7-16(13,14)8-9/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyVMFDLSVZMOPWHH-SECBINFHSA-N
XLogP0.24
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide
CID 113140538
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide
CID 113152388
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-4-methylbenzenesulfonamide
CID 7452405
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 7260447
N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 7260448
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2,4-dimethylbenzenesulfonamide
CID 129370557
N-butyl-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 7275916
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)ethanesulfonamide
CID 64592350
N-(1,1-dioxothiolan-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113140500
3-[butyl-[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-4-methylbenzoic acid
CID 129360457
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153415
N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]propanamide
CID 113140503

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide?
The IUPAC name of N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide (CID 7260297) is N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide.
What is the SMILES notation for N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide?
The canonical SMILES for N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide is CCCCN([C@@H]1CCS(=O)(=O)C1)S(C)(=O)=O.
What is the InChIKey of N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide?
The InChIKey is VMFDLSVZMOPWHH-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO4S2/c1-3-4-6-10(15(2,11)12)9-5-7-16(13,14)8-9/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide?
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide has a molecular weight of 269.39 g/mol, XLogP of 0.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]methanesulfonamide is sourced from PubChem (CID 7260297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).