4-(2-methylcycloheptyl)thiomorpholine

C12H23NS — CID 142233704

IUPAC4-(2-methylcycloheptyl)thiomorpholine
SMILESCC1CCCCCC1N1CCSCC1
InChIInChI=1S/C12H23NS/c1-11-5-3-2-4-6-12(11)13-7-9-14-10-8-13/h11-12H,2-10H2,1H3
InChIKeyYRNNSDKJIVFWQR-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.00
Rot. Bonds1

About 4-(2-methylcycloheptyl)thiomorpholine

4-(2-methylcycloheptyl)thiomorpholine (PubChem CID 142233704) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 4-(2-methylcycloheptyl)thiomorpholine.

Molecular Properties

Compound Name4-(2-methylcycloheptyl)thiomorpholine
PubChem CID142233704
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name4-(2-methylcycloheptyl)thiomorpholine
SMILESCC1CCCCCC1N1CCSCC1
InChIInChI=1S/C12H23NS/c1-11-5-3-2-4-6-12(11)13-7-9-14-10-8-13/h11-12H,2-10H2,1H3
InChIKeyYRNNSDKJIVFWQR-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-methylcyclopentyl]piperidine
CID 59715874
(1R)-1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 16637720
(8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 155305626
1-[(1R,2S)-2-methylcyclohexyl]piperazine
CID 796159
N-methyl-1-(2-methylcyclohexyl)piperidin-4-amine
CID 43315447
1-(2-methylcyclopentyl)piperidin-4-amine
CID 63281910
1-ethylsulfonyl-4-(2-methylcyclohexyl)piperazine
CID 3145555
(2-thiomorpholin-4-ylcyclohexyl) 2,2-difluoropropanoate
CID 70848276
4-(2-methyloxolan-3-yl)-1,4-thiazepane
CID 131186311
2-(2-methylcyclohexyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79931642
2-[1-(2-methylcyclohexyl)piperidin-4-yl]acetic acid
CID 79606528
4-methyl-1-(2-methylcyclohexyl)pyrrolidin-3-amine
CID 103575116

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylcycloheptyl)thiomorpholine?
The IUPAC name of 4-(2-methylcycloheptyl)thiomorpholine (CID 142233704) is 4-(2-methylcycloheptyl)thiomorpholine.
What is the SMILES notation for 4-(2-methylcycloheptyl)thiomorpholine?
The canonical SMILES for 4-(2-methylcycloheptyl)thiomorpholine is CC1CCCCCC1N1CCSCC1.
What is the InChIKey of 4-(2-methylcycloheptyl)thiomorpholine?
The InChIKey is YRNNSDKJIVFWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-11-5-3-2-4-6-12(11)13-7-9-14-10-8-13/h11-12H,2-10H2,1H3.
What are the key properties of 4-(2-methylcycloheptyl)thiomorpholine?
4-(2-methylcycloheptyl)thiomorpholine has a molecular weight of 213.39 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylcycloheptyl)thiomorpholine is sourced from PubChem (CID 142233704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).