2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol

C10H21NOS — CID 62271283

IUPAC2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol
SMILESCN(CC(C)(C)CO)C1CCSC1
InChIInChI=1S/C10H21NOS/c1-10(2,8-12)7-11(3)9-4-5-13-6-9/h9,12H,4-8H2,1-3H3
InChIKeyQHTAOPGPTCABOE-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.44
Rot. Bonds4

About 2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol

2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol (PubChem CID 62271283) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol
PubChem CID62271283
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol
SMILESCN(CC(C)(C)CO)C1CCSC1
InChIInChI=1S/C10H21NOS/c1-10(2,8-12)7-11(3)9-4-5-13-6-9/h9,12H,4-8H2,1-3H3
InChIKeyQHTAOPGPTCABOE-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol (CID 62271283) is 2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol is CN(CC(C)(C)CO)C1CCSC1.
What is the InChIKey of 2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol?
The InChIKey is QHTAOPGPTCABOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-10(2,8-12)7-11(3)9-4-5-13-6-9/h9,12H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol?
2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl(thiolan-3-yl)amino]propan-1-ol is sourced from PubChem (CID 62271283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).