N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine

C13H25NOS — CID 115892654

IUPACN-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine
SMILESCC(C)C1OCCCC1CNC1CCSC1
InChIInChI=1S/C13H25NOS/c1-10(2)13-11(4-3-6-15-13)8-14-12-5-7-16-9-12/h10-14H,3-9H2,1-2H3
InChIKeyMRORLHSIDPZWJZ-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.53
Rot. Bonds4

About N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine

N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine (PubChem CID 115892654) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine
PubChem CID115892654
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC NameN-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine
SMILESCC(C)C1OCCCC1CNC1CCSC1
InChIInChI=1S/C13H25NOS/c1-10(2)13-11(4-3-6-15-13)8-14-12-5-7-16-9-12/h10-14H,3-9H2,1-2H3
InChIKeyMRORLHSIDPZWJZ-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine?
The IUPAC name of N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine (CID 115892654) is N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine is CC(C)C1OCCCC1CNC1CCSC1.
What is the InChIKey of N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine?
The InChIKey is MRORLHSIDPZWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-10(2)13-11(4-3-6-15-13)8-14-12-5-7-16-9-12/h10-14H,3-9H2,1-2H3.
What are the key properties of N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine?
N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine has a molecular weight of 243.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yloxan-3-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 115892654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).