2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide

C9H18N2O2S — CID 117016676

IUPAC2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide
SMILESCC1(C)CN(C2CC2)S(=O)(=O)CCN1
InChIInChI=1S/C9H18N2O2S/c1-9(2)7-11(8-3-4-8)14(12,13)6-5-10-9/h8,10H,3-7H2,1-2H3
InChIKeyRPKMDXFALWKONH-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.16
Rot. Bonds1

About 2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide

2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide (PubChem CID 117016676) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide.

Molecular Properties

Compound Name2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide
PubChem CID117016676
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide
SMILESCC1(C)CN(C2CC2)S(=O)(=O)CCN1
InChIInChI=1S/C9H18N2O2S/c1-9(2)7-11(8-3-4-8)14(12,13)6-5-10-9/h8,10H,3-7H2,1-2H3
InChIKeyRPKMDXFALWKONH-UHFFFAOYSA-N
XLogP0.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 117016679
4,4-dimethyl-2-(3-methylbutyl)-1,2,5-thiadiazepane 1,1-dioxide
CID 117016694
3-(3,3-dimethyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 64951788
4,4-dimethyl-2-phenyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117016696
4-(1,1-dioxothiolan-3-yl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023661
4-(2,5,5-trimethylpiperazin-1-yl)thiane 1,1-dioxide
CID 64933302
4-cyclopropyl-2,2-dimethyl-1,4-diazepan-5-one
CID 117023640
2-cyclopentyl-4-methyl-1,2,5-thiadiazepane 1,1-dioxide
CID 117016628
2-cyclopropyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117015210
4,4-dimethyl-2-(2-methylpropyl)-1,2,5-thiadiazocane 1,1-dioxide
CID 117016561
4-cyclopropyl-2,2,6,6-tetramethyl-1,4-diazepan-5-one
CID 117023601
2-cyclopentyl-3,3-dimethyl-1,2,5-thiadiazocane 1,1-dioxide
CID 117016611

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide?
The IUPAC name of 2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide (CID 117016676) is 2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide.
What is the SMILES notation for 2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide?
The canonical SMILES for 2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide is CC1(C)CN(C2CC2)S(=O)(=O)CCN1.
What is the InChIKey of 2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide?
The InChIKey is RPKMDXFALWKONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-9(2)7-11(8-3-4-8)14(12,13)6-5-10-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide?
2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide has a molecular weight of 218.32 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,4-dimethyl-1,2,5-thiadiazepane 1,1-dioxide is sourced from PubChem (CID 117016676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).