1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine chloride

C10H19ClNO2S- — CID 21179750

IUPAC1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine chloride
SMILESCC(C)N(C(C)C)C1C=CS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C10H19NO2S.ClH/c1-8(2)11(9(3)4)10-5-6-14(12,13)7-10;/h5-6,8-10H,7H2,1-4H3;1H/p-1
InChIKeyXQJUTZQZXBRFHN-UHFFFAOYSA-M
MW252.79 g/mol
LogP-1.58
Rot. Bonds3

About 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine chloride

1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine chloride (PubChem CID 21179750) has the molecular formula C10H19ClNO2S- and a molecular weight of 252.79 g/mol. Its IUPAC name is 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine chloride.

Molecular Properties

Compound Name1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine chloride
PubChem CID21179750
Molecular FormulaC10H19ClNO2S-
Molecular Weight252.79 g/mol
Exact Mass252.08
IUPAC Name1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine chloride
SMILESCC(C)N(C(C)C)C1C=CS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C10H19NO2S.ClH/c1-8(2)11(9(3)4)10-5-6-14(12,13)7-10;/h5-6,8-10H,7H2,1-4H3;1H/p-1
InChIKeyXQJUTZQZXBRFHN-UHFFFAOYSA-M
XLogP-1.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine chloride?
The IUPAC name of 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine chloride (CID 21179750) is 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine chloride.
What is the SMILES notation for 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine chloride?
The canonical SMILES for 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine chloride is CC(C)N(C(C)C)C1C=CS(=O)(=O)C1.[Cl-].
What is the InChIKey of 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine chloride?
The InChIKey is XQJUTZQZXBRFHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19NO2S.ClH/c1-8(2)11(9(3)4)10-5-6-14(12,13)7-10;/h5-6,8-10H,7H2,1-4H3;1H/p-1.
What are the key properties of 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine chloride?
1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine chloride has a molecular weight of 252.79 g/mol, XLogP of -1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N,N-di(propan-2-yl)-2,3-dihydrothiophen-3-amine chloride is sourced from PubChem (CID 21179750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).