N-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine

C9H17NO3S — CID 130729696

IUPACN-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine
SMILESCC1(C)COCC1NC1CS(=O)(=O)C1
InChIInChI=1S/C9H17NO3S/c1-9(2)6-13-3-8(9)10-7-4-14(11,12)5-7/h7-8,10H,3-6H2,1-2H3
InChIKeyYDTZUHANXKTJCP-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.20
Rot. Bonds2

About N-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine

N-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine (PubChem CID 130729696) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine
PubChem CID130729696
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine
SMILESCC1(C)COCC1NC1CS(=O)(=O)C1
InChIInChI=1S/C9H17NO3S/c1-9(2)6-13-3-8(9)10-7-4-14(11,12)5-7/h7-8,10H,3-6H2,1-2H3
InChIKeyYDTZUHANXKTJCP-UHFFFAOYSA-N
XLogP-0.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-dimethyloxolan-3-yl)urea
CID 130700520
N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine
CID 130532869
N-(4,4-dimethyloxolan-3-yl)prop-2-enamide
CID 130640588
3-[(4,4-dimethyloxolan-3-yl)amino]propanenitrile
CID 126990605
4,4-dimethyl-N-(oxolan-3-ylmethyl)oxolan-3-amine
CID 130655992
4-acetamido-3-methyloxolane-3-carboxylic acid
CID 66256805
N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine
CID 79864492
5-[(4,4-dimethyloxolan-3-yl)amino]pyrazine-2-carboxylic acid
CID 122058026
N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine
CID 79948037
4,4-dimethyloxolane-3-thiol
CID 130703630
3-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)oxolane-3-carboxylic acid
CID 66371282
4,4-dimethyloxolan-3-amine;hydrochloride
CID 67002020

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine?
The IUPAC name of N-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine (CID 130729696) is N-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine.
What is the SMILES notation for N-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine?
The canonical SMILES for N-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine is CC1(C)COCC1NC1CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine?
The InChIKey is YDTZUHANXKTJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-9(2)6-13-3-8(9)10-7-4-14(11,12)5-7/h7-8,10H,3-6H2,1-2H3.
What are the key properties of N-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine?
N-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine has a molecular weight of 219.31 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothietan-3-yl)-4,4-dimethyloxolan-3-amine is sourced from PubChem (CID 130729696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).