N-[1-(2-methylpropoxy)propan-2-yl]thietan-3-amine

C10H21NOS — CID 135392551

IUPACN-[1-(2-methylpropoxy)propan-2-yl]thietan-3-amine
SMILESCC(C)COCC(C)NC1CSC1
InChIInChI=1S/C10H21NOS/c1-8(2)4-12-5-9(3)11-10-6-13-7-10/h8-11H,4-7H2,1-3H3
InChIKeyATIGMGLHXARCFL-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.75
Rot. Bonds6

About N-[1-(2-methylpropoxy)propan-2-yl]thietan-3-amine

N-[1-(2-methylpropoxy)propan-2-yl]thietan-3-amine (PubChem CID 135392551) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-[1-(2-methylpropoxy)propan-2-yl]thietan-3-amine.

Molecular Properties

Compound NameN-[1-(2-methylpropoxy)propan-2-yl]thietan-3-amine
PubChem CID135392551
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-[1-(2-methylpropoxy)propan-2-yl]thietan-3-amine
SMILESCC(C)COCC(C)NC1CSC1
InChIInChI=1S/C10H21NOS/c1-8(2)4-12-5-9(3)11-10-6-13-7-10/h8-11H,4-7H2,1-3H3
InChIKeyATIGMGLHXARCFL-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylpropoxy)propan-2-yl]cyclopentanamine
CID 115615668
N-[1-(2-methylpropoxy)propan-2-yl]oxolan-3-amine
CID 115689093
3-(thietan-3-ylamino)butanenitrile
CID 126994404
2-methyl-N-[1-(2-methylpropoxy)propan-2-yl]cyclohexan-1-amine
CID 115889323
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
N-(1-ethoxypropan-2-yl)-2,2-dimethylthietan-3-amine
CID 135392788
N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine
CID 65070598
2-N-(thiolan-3-yl)propane-1,2-diamine
CID 103391245
N-[1-(2-methylpropoxy)propan-2-yl]cyclopentanecarboxamide
CID 56823316
2-methyl-1-(2-methylpropoxy)propane;2-methyl-N-(2-methylpropyl)propan-1-amine
CID 167710729
N-(2-methylpropoxy)thian-4-amine
CID 82709105
ethanol;2-methyl-1-(2-methylpropoxy)propane
CID 23506368

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropoxy)propan-2-yl]thietan-3-amine?
The IUPAC name of N-[1-(2-methylpropoxy)propan-2-yl]thietan-3-amine (CID 135392551) is N-[1-(2-methylpropoxy)propan-2-yl]thietan-3-amine.
What is the SMILES notation for N-[1-(2-methylpropoxy)propan-2-yl]thietan-3-amine?
The canonical SMILES for N-[1-(2-methylpropoxy)propan-2-yl]thietan-3-amine is CC(C)COCC(C)NC1CSC1.
What is the InChIKey of N-[1-(2-methylpropoxy)propan-2-yl]thietan-3-amine?
The InChIKey is ATIGMGLHXARCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(2)4-12-5-9(3)11-10-6-13-7-10/h8-11H,4-7H2,1-3H3.
What are the key properties of N-[1-(2-methylpropoxy)propan-2-yl]thietan-3-amine?
N-[1-(2-methylpropoxy)propan-2-yl]thietan-3-amine has a molecular weight of 203.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropoxy)propan-2-yl]thietan-3-amine is sourced from PubChem (CID 135392551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).