N-tert-butyl-1,1-dioxothian-4-amine

C9H19NO2S — CID 43511408

IUPACN-tert-butyl-1,1-dioxothian-4-amine
SMILESCC(C)(C)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO2S/c1-9(2,3)10-8-4-6-13(11,12)7-5-8/h8,10H,4-7H2,1-3H3
InChIKeyFSJXXWOVUILOSU-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.95
Rot. Bonds1

About N-tert-butyl-1,1-dioxothian-4-amine

N-tert-butyl-1,1-dioxothian-4-amine (PubChem CID 43511408) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-tert-butyl-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-tert-butyl-1,1-dioxothian-4-amine
PubChem CID43511408
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-tert-butyl-1,1-dioxothian-4-amine
SMILESCC(C)(C)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO2S/c1-9(2,3)10-8-4-6-13(11,12)7-5-8/h8,10H,4-7H2,1-3H3
InChIKeyFSJXXWOVUILOSU-UHFFFAOYSA-N
XLogP0.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(Ethanesulfonyl)propan-2-yl](ethyl)amine
CID 54593046
4-(methylamino)tetrahydro-2H-thiopyran-1,1-dioxide hydrochloride
CID 50944287
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide
CID 3113026
3,3-Dimethylthiomorpholine 1,1-dioxide
CID 21751983
3-(Tert-butyl)thiomorpholine 1,1-dioxide
CID 64437763
3,3-Dimethyl-1lambda6-thiomorpholine-1,1-dione hydrochloride
CID 75481116
N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine
CID 75483309
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
Thiomorpholine, 3-methyl-, 1,1-dioxide
CID 14953855
N-methyltetrahydro-2H-thiopyran-4-amine 1,1-dioxide
CID 43511407
4-(Propane-1-sulfonyl)piperidine
CID 54059246
4-(Propane-2-sulfonyl)piperidine
CID 57231271

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,1-dioxothian-4-amine?
The IUPAC name of N-tert-butyl-1,1-dioxothian-4-amine (CID 43511408) is N-tert-butyl-1,1-dioxothian-4-amine.
What is the SMILES notation for N-tert-butyl-1,1-dioxothian-4-amine?
The canonical SMILES for N-tert-butyl-1,1-dioxothian-4-amine is CC(C)(C)NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-tert-butyl-1,1-dioxothian-4-amine?
The InChIKey is FSJXXWOVUILOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-9(2,3)10-8-4-6-13(11,12)7-5-8/h8,10H,4-7H2,1-3H3.
What are the key properties of N-tert-butyl-1,1-dioxothian-4-amine?
N-tert-butyl-1,1-dioxothian-4-amine has a molecular weight of 205.32 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,1-dioxothian-4-amine is sourced from PubChem (CID 43511408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).