2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol

C15H29NO3S — CID 62709072

IUPAC2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN(C)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C15H29NO3S/c1-11(2)12-4-5-15(17)13(8-12)9-16(3)14-6-7-20(18,19)10-14/h11-15,17H,4-10H2,1-3H3
InChIKeyQMMYUSULAKAOBE-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.54
Rot. Bonds4

About 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol

2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62709072) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID62709072
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC Name2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN(C)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C15H29NO3S/c1-11(2)12-4-5-15(17)13(8-12)9-16(3)14-6-7-20(18,19)10-14/h11-15,17H,4-10H2,1-3H3
InChIKeyQMMYUSULAKAOBE-UHFFFAOYSA-N
XLogP1.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol (CID 62709072) is 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CN(C)C2CCS(=O)(=O)C2)C1.
What is the InChIKey of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is QMMYUSULAKAOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-11(2)12-4-5-15(17)13(8-12)9-16(3)14-6-7-20(18,19)10-14/h11-15,17H,4-10H2,1-3H3.
What are the key properties of 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol?
2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 303.47 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62709072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).