4-methylsulfanyl-1-propan-2-ylazepane

C10H21NS — CID 142624919

IUPAC4-methylsulfanyl-1-propan-2-ylazepane
SMILESCSC1CCCN(C(C)C)CC1
InChIInChI=1S/C10H21NS/c1-9(2)11-7-4-5-10(12-3)6-8-11/h9-10H,4-8H2,1-3H3
InChIKeyLKVUFTOSFDOWFB-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.61
Rot. Bonds2

About 4-methylsulfanyl-1-propan-2-ylazepane

4-methylsulfanyl-1-propan-2-ylazepane (PubChem CID 142624919) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-methylsulfanyl-1-propan-2-ylazepane.

Molecular Properties

Compound Name4-methylsulfanyl-1-propan-2-ylazepane
PubChem CID142624919
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-methylsulfanyl-1-propan-2-ylazepane
SMILESCSC1CCCN(C(C)C)CC1
InChIInChI=1S/C10H21NS/c1-9(2)11-7-4-5-10(12-3)6-8-11/h9-10H,4-8H2,1-3H3
InChIKeyLKVUFTOSFDOWFB-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-3-(4-methylsulfanylazepan-1-yl)butan-1-amine
CID 114238356
ethane;4-methyl-1-propan-2-ylazepane
CID 144749711
2-(4-methylsulfanylpiperidin-1-yl)propanethioamide
CID 130490355
1-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 171743044
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
ethane;1-propan-2-ylpyrrolidine
CID 167557798
3-(3-methylsulfanylpiperidin-1-yl)butanenitrile
CID 131043304
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530
1,4-di(propan-2-yl)piperidine
CID 21303253
1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine
CID 118965706
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1-propan-2-ylazepane?
The IUPAC name of 4-methylsulfanyl-1-propan-2-ylazepane (CID 142624919) is 4-methylsulfanyl-1-propan-2-ylazepane.
What is the SMILES notation for 4-methylsulfanyl-1-propan-2-ylazepane?
The canonical SMILES for 4-methylsulfanyl-1-propan-2-ylazepane is CSC1CCCN(C(C)C)CC1.
What is the InChIKey of 4-methylsulfanyl-1-propan-2-ylazepane?
The InChIKey is LKVUFTOSFDOWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-9(2)11-7-4-5-10(12-3)6-8-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-methylsulfanyl-1-propan-2-ylazepane?
4-methylsulfanyl-1-propan-2-ylazepane has a molecular weight of 187.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1-propan-2-ylazepane is sourced from PubChem (CID 142624919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).