1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol

C12H25NO3S — CID 64643391

IUPAC1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol
SMILESCC(CS(C)(=O)=O)NCC1(O)CCCCCC1
InChIInChI=1S/C12H25NO3S/c1-11(9-17(2,15)16)13-10-12(14)7-5-3-4-6-8-12/h11,13-14H,3-10H2,1-2H3
InChIKeyVFQVGCVJOAFIOL-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.09
Rot. Bonds5

About 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol

1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol (PubChem CID 64643391) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol
PubChem CID64643391
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol
SMILESCC(CS(C)(=O)=O)NCC1(O)CCCCCC1
InChIInChI=1S/C12H25NO3S/c1-11(9-17(2,15)16)13-10-12(14)7-5-3-4-6-8-12/h11,13-14H,3-10H2,1-2H3
InChIKeyVFQVGCVJOAFIOL-UHFFFAOYSA-N
XLogP1.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol
CID 130502696
methyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122312
1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol
CID 104582555
ethyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122002
1-[(1-methoxypropan-2-ylamino)methyl]cyclopentan-1-ol
CID 65107675
1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol
CID 64604658
1-[(nonan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105272
2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol
CID 107270852
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936
1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol
CID 81385046
1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105584
N'-hydroxy-3-[(1-hydroxycycloheptyl)methylamino]butanimidamide
CID 77056752

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol (CID 64643391) is 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol is CC(CS(C)(=O)=O)NCC1(O)CCCCCC1.
What is the InChIKey of 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol?
The InChIKey is VFQVGCVJOAFIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-11(9-17(2,15)16)13-10-12(14)7-5-3-4-6-8-12/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol?
1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol has a molecular weight of 263.40 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylsulfonylpropan-2-ylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 64643391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).