N,N-dibutyl-1,1-dioxothiolan-3-amine;hydrochloride

C12H26ClNO2S — CID 50944457

IUPACN,N-dibutyl-1,1-dioxothiolan-3-amine;hydrochloride
SMILESCCCCN(CCCC)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C12H25NO2S.ClH/c1-3-5-8-13(9-6-4-2)12-7-10-16(14,15)11-12;/h12H,3-11H2,1-2H3;1H
InChIKeyXNWKIFMJTVXJIN-UHFFFAOYSA-N
MW283.86 g/mol
LogP2.50
Rot. Bonds7

About N,N-dibutyl-1,1-dioxothiolan-3-amine;hydrochloride

N,N-dibutyl-1,1-dioxothiolan-3-amine;hydrochloride (PubChem CID 50944457) has the molecular formula C12H26ClNO2S and a molecular weight of 283.86 g/mol. Its IUPAC name is N,N-dibutyl-1,1-dioxothiolan-3-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dibutyl-1,1-dioxothiolan-3-amine;hydrochloride
PubChem CID50944457
Molecular FormulaC12H26ClNO2S
Molecular Weight283.86 g/mol
Exact Mass283.14
IUPAC NameN,N-dibutyl-1,1-dioxothiolan-3-amine;hydrochloride
SMILESCCCCN(CCCC)C1CCS(=O)(=O)C1.Cl
InChIInChI=1S/C12H25NO2S.ClH/c1-3-5-8-13(9-6-4-2)12-7-10-16(14,15)11-12;/h12H,3-11H2,1-2H3;1H
InChIKeyXNWKIFMJTVXJIN-UHFFFAOYSA-N
XLogP2.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.86
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Dimethyltetrahydro-3-thiophenamine 1,1-dioxide
CID 2831166
methyl N-butyl-N-(1,1-dioxothiolan-3-yl)carbamodithioate
CID 2831207
Cambridge id 5232381
CID 2835677
N-butyl-N-(1,1-dioxidotetrahydrothien-3-yl)amine hydrochloride
CID 12643601
Butyl (1,1-dioxidotetrahydro-3-thienyl)methyldithiocarbamate
CID 2896475
3-(Butylamino)-1lambda6-thiolane-1,1-dione
CID 2831159
3-(Diethylamino)-1-hydroxythiolan-1-one
CID 2835678
1-(1,1-Dioxidotetrahydro-3-thienyl)piperidine
CID 410105
3,4-Bis(dimethylamino)thiolane-1,1-dione
CID 3094473
N-butyl-N-(1,1-dioxo-1lambda6-thiolan-3-yl)methanesulfonamide
CID 16300330
N,N,N-Trimethyl-1,1-dioxo-1lambda~6~-thiolan-3-aminium iodide
CID 21206492
3-(Piperidin-1-yl)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 45148608

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1,1-dioxothiolan-3-amine;hydrochloride?
The IUPAC name of N,N-dibutyl-1,1-dioxothiolan-3-amine;hydrochloride (CID 50944457) is N,N-dibutyl-1,1-dioxothiolan-3-amine;hydrochloride.
What is the SMILES notation for N,N-dibutyl-1,1-dioxothiolan-3-amine;hydrochloride?
The canonical SMILES for N,N-dibutyl-1,1-dioxothiolan-3-amine;hydrochloride is CCCCN(CCCC)C1CCS(=O)(=O)C1.Cl.
What is the InChIKey of N,N-dibutyl-1,1-dioxothiolan-3-amine;hydrochloride?
The InChIKey is XNWKIFMJTVXJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S.ClH/c1-3-5-8-13(9-6-4-2)12-7-10-16(14,15)11-12;/h12H,3-11H2,1-2H3;1H.
What are the key properties of N,N-dibutyl-1,1-dioxothiolan-3-amine;hydrochloride?
N,N-dibutyl-1,1-dioxothiolan-3-amine;hydrochloride has a molecular weight of 283.86 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1,1-dioxothiolan-3-amine;hydrochloride is sourced from PubChem (CID 50944457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).