N-[(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl]-N-propan-2-ylpropan-2-amine

C11H24N2O2S2 — CID 75632425

IUPACN-[(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CC1CSCCS(=O)(=O)N1)C(C)C
InChIInChI=1S/C11H24N2O2S2/c1-9(2)13(10(3)4)7-11-8-16-5-6-17(14,15)12-11/h9-12H,5-8H2,1-4H3
InChIKeySMLPAVJMJVQCRR-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.14
Rot. Bonds4

About N-[(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl]-N-propan-2-ylpropan-2-amine

N-[(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 75632425) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-[(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl]-N-propan-2-ylpropan-2-amine
PubChem CID75632425
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC NameN-[(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CC1CSCCS(=O)(=O)N1)C(C)C
InChIInChI=1S/C11H24N2O2S2/c1-9(2)13(10(3)4)7-11-8-16-5-6-17(14,15)12-11/h9-12H,5-8H2,1-4H3
InChIKeySMLPAVJMJVQCRR-UHFFFAOYSA-N
XLogP1.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl]-N-propan-2-ylpropan-2-amine (CID 75632425) is N-[(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CC1CSCCS(=O)(=O)N1)C(C)C.
What is the InChIKey of N-[(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is SMLPAVJMJVQCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-9(2)13(10(3)4)7-11-8-16-5-6-17(14,15)12-11/h9-12H,5-8H2,1-4H3.
What are the key properties of N-[(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl]-N-propan-2-ylpropan-2-amine?
N-[(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 280.46 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxo-1,5,2-dithiazepan-3-yl)methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 75632425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).