2-(1,4-dithiepan-6-yl)-8-methyl-2,8-diazaspiro[4.5]decane

C14H26N2S2 — CID 50972517

IUPAC2-(1,4-dithiepan-6-yl)-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)CCN(C1CSCCSC1)C2
InChIInChI=1S/C14H26N2S2/c1-15-5-2-14(3-6-15)4-7-16(12-14)13-10-17-8-9-18-11-13/h13H,2-12H2,1H3
InChIKeySLKLICMPNBKTKM-UHFFFAOYSA-N
MW286.51 g/mol
LogP2.25
Rot. Bonds1

About 2-(1,4-dithiepan-6-yl)-8-methyl-2,8-diazaspiro[4.5]decane

2-(1,4-dithiepan-6-yl)-8-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 50972517) has the molecular formula C14H26N2S2 and a molecular weight of 286.51 g/mol. Its IUPAC name is 2-(1,4-dithiepan-6-yl)-8-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(1,4-dithiepan-6-yl)-8-methyl-2,8-diazaspiro[4.5]decane
PubChem CID50972517
Molecular FormulaC14H26N2S2
Molecular Weight286.51 g/mol
Exact Mass286.15
IUPAC Name2-(1,4-dithiepan-6-yl)-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)CCN(C1CSCCSC1)C2
InChIInChI=1S/C14H26N2S2/c1-15-5-2-14(3-6-15)4-7-16(12-14)13-10-17-8-9-18-11-13/h13H,2-12H2,1H3
InChIKeySLKLICMPNBKTKM-UHFFFAOYSA-N
XLogP2.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Dimethyl-3-(8-thia-2-azaspiro(4.5)dec-2-yl)-1-propanamine
CID 417531
7-(Cyclopropylmethyl)-2-(1,4-dithiepan-6-yl)-2,7-diazaspiro[4.5]decane
CID 45188720
7-(2,2-Dimethylpropyl)-2-(1,4-dithiepan-6-yl)-2,7-diazaspiro[4.5]decane
CID 45247068
8-Methyl-2-thia-8-azaspiro[4.5]decane
CID 123683470
2-Methyl-8-thia-2-azaspiro[4.5]decane
CID 130137830
8-Ethyl-2-thia-8-azaspiro[4.5]decane
CID 130137854
8-(1-Methylsulfanylethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 130380849
8-Tert-butyl-2-thia-8-azaspiro[4.5]decane
CID 134462554
Ethane;8-methyl-2-thia-8-azaspiro[4.5]decane
CID 144806988
Ethane;2-methyl-8-thia-2-azaspiro[4.5]decane
CID 145416394
3-(2,2-Dimethyl-3-methylsulfanylbutyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 167106977
8-[1-(Disulfanyl)ethyl]-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 170207603

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dithiepan-6-yl)-8-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(1,4-dithiepan-6-yl)-8-methyl-2,8-diazaspiro[4.5]decane (CID 50972517) is 2-(1,4-dithiepan-6-yl)-8-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(1,4-dithiepan-6-yl)-8-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(1,4-dithiepan-6-yl)-8-methyl-2,8-diazaspiro[4.5]decane is CN1CCC2(CC1)CCN(C1CSCCSC1)C2.
What is the InChIKey of 2-(1,4-dithiepan-6-yl)-8-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is SLKLICMPNBKTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S2/c1-15-5-2-14(3-6-15)4-7-16(12-14)13-10-17-8-9-18-11-13/h13H,2-12H2,1H3.
What are the key properties of 2-(1,4-dithiepan-6-yl)-8-methyl-2,8-diazaspiro[4.5]decane?
2-(1,4-dithiepan-6-yl)-8-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 286.51 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dithiepan-6-yl)-8-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 50972517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).