N-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine

C11H23NO2S2 — CID 115891428

IUPACN-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine
SMILESCC(C)(CCS(C)(=O)=O)CNC1CCSC1
InChIInChI=1S/C11H23NO2S2/c1-11(2,5-7-16(3,13)14)9-12-10-4-6-15-8-10/h10,12H,4-9H2,1-3H3
InChIKeyPNJOJXCZGZRFSB-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.54
Rot. Bonds6

About N-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine

N-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine (PubChem CID 115891428) has the molecular formula C11H23NO2S2 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine
PubChem CID115891428
Molecular FormulaC11H23NO2S2
Molecular Weight265.44 g/mol
Exact Mass265.12
IUPAC NameN-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine
SMILESCC(C)(CCS(C)(=O)=O)CNC1CCSC1
InChIInChI=1S/C11H23NO2S2/c1-11(2,5-7-16(3,13)14)9-12-10-4-6-15-8-10/h10,12H,4-9H2,1-3H3
InChIKeyPNJOJXCZGZRFSB-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-(1,1-dioxidotetrahydrothien-3-yl)amine hydrochloride
CID 12643601
3-(Butylamino)-1lambda6-thiolane-1,1-dione
CID 2831159
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 16187048
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide
CID 3113026
3-tert-Butyl-1lambda6-thiomorpholine-1,1-dione
CID 64437763
3-(Methanesulfonylmethyl)-3-methylpyrrolidine hydrochloride
CID 165946640
N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2,2-diethylbutan-1-amine
CID 97262516
3-(2-Methylpropane-2-sulfonyl)pyrrolidine
CID 76145204
N-(3-fluoropropyl)-3-methyl-1,1-dioxothiolan-3-amine
CID 81106940
N-(2-methylpropyl)-1,1-dioxothiolan-3-amine chloride
CID 21179737
N,N-dimethyl-2-(tetrahydro-3-thienylamino)ethanesulfonamide
CID 50981715
Butyl-(1,1-dioxothiolan-3-yl)azanium;chloride
CID 6456563

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine?
The IUPAC name of N-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine (CID 115891428) is N-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine.
What is the SMILES notation for N-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine?
The canonical SMILES for N-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine is CC(C)(CCS(C)(=O)=O)CNC1CCSC1.
What is the InChIKey of N-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine?
The InChIKey is PNJOJXCZGZRFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S2/c1-11(2,5-7-16(3,13)14)9-12-10-4-6-15-8-10/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine?
N-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine has a molecular weight of 265.44 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-4-methylsulfonylbutyl)thiolan-3-amine is sourced from PubChem (CID 115891428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).