N-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine

C10H21NO2S — CID 43511422

IUPACN-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine
SMILESCCC(C)(C)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H21NO2S/c1-4-10(2,3)11-9-5-7-14(12,13)8-6-9/h9,11H,4-8H2,1-3H3
InChIKeyUGHUEVYMSVUQJC-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.34
Rot. Bonds3

About N-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine

N-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine (PubChem CID 43511422) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine
PubChem CID43511422
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine
SMILESCCC(C)(C)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H21NO2S/c1-4-10(2,3)11-9-5-7-14(12,13)8-6-9/h9,11H,4-8H2,1-3H3
InChIKeyUGHUEVYMSVUQJC-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,1-dioxothian-4-yl)amino]-2-ethylbutan-1-ol
CID 62519087
N-(2-methylbutan-2-yl)spiro[2.5]octan-6-amine
CID 126989440
N-(3-methylpentan-3-yl)-1,1-dioxothiolan-3-amine
CID 103829133
3-[(1,1-dioxothian-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106184974
N-(2-methylbut-3-yn-2-yl)-1,1-dioxothian-4-amine
CID 63997125
1-methyl-N-(2-methylbutan-2-yl)azetidin-3-amine
CID 134186239
methyl 2-[(1,1-dioxothian-4-yl)amino]-2-methylpropanoate
CID 43726170
N-(2,2-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 103698424
2-[(1,1-dioxothian-4-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822169
2-[[(1,1-dioxothian-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 81413030
N-(1,1-dioxothian-4-yl)ethanesulfonamide
CID 64586482
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide
CID 75407298

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine (CID 43511422) is N-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine is CCC(C)(C)NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine?
The InChIKey is UGHUEVYMSVUQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-10(2,3)11-9-5-7-14(12,13)8-6-9/h9,11H,4-8H2,1-3H3.
What are the key properties of N-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine?
N-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine has a molecular weight of 219.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 43511422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).