1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol

C14H27NOS — CID 80721571

IUPAC1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol
SMILESCC1(CNCC2(O)CCCCCC2)CCCS1
InChIInChI=1S/C14H27NOS/c1-13(7-6-10-17-13)11-15-12-14(16)8-4-2-3-5-9-14/h15-16H,2-12H2,1H3
InChIKeyBLBRULWZIHVLKO-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.95
Rot. Bonds4

About 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol

1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol (PubChem CID 80721571) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol
PubChem CID80721571
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol
SMILESCC1(CNCC2(O)CCCCCC2)CCCS1
InChIInChI=1S/C14H27NOS/c1-13(7-6-10-17-13)11-15-12-14(16)8-4-2-3-5-9-14/h15-16H,2-12H2,1H3
InChIKeyBLBRULWZIHVLKO-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol with MolForge

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Related Compounds

1-[[(1-methylcyclopentyl)methylamino]methyl]cyclopentan-1-ol
CID 65211055
1-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]cycloheptan-1-ol
CID 114113614
1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
CID 115359618
4-[(2-methylthiolan-2-yl)methylamino]butanoic acid
CID 80721729
N-[(2-methylthiolan-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 80726376
N-[(2-methylthiolan-2-yl)methyl]but-3-en-1-amine
CID 80721859
2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine
CID 80722889
N-[(2-methylthiolan-2-yl)methyl]decan-1-amine
CID 80721703
2-amino-3-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 80743142
[5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 80528732
1-(3-methylcyclohexyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80723031
1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
CID 64568933

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol (CID 80721571) is 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol is CC1(CNCC2(O)CCCCCC2)CCCS1.
What is the InChIKey of 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol?
The InChIKey is BLBRULWZIHVLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-13(7-6-10-17-13)11-15-12-14(16)8-4-2-3-5-9-14/h15-16H,2-12H2,1H3.
What are the key properties of 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol?
1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol has a molecular weight of 257.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methylthiolan-2-yl)methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 80721571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).