N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine

C13H26N2S — CID 62262514

IUPACN-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)CN1CCSCC1
InChIInChI=1S/C13H26N2S/c1-3-13(2,10-14-12-4-5-12)11-15-6-8-16-9-7-15/h12,14H,3-11H2,1-2H3
InChIKeyOQTAYHTWXWLUCG-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.20
Rot. Bonds6

About N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine

N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine (PubChem CID 62262514) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine
PubChem CID62262514
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)CN1CCSCC1
InChIInChI=1S/C13H26N2S/c1-3-13(2,10-14-12-4-5-12)11-15-6-8-16-9-7-15/h12,14H,3-11H2,1-2H3
InChIKeyOQTAYHTWXWLUCG-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine (CID 62262514) is N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine is CCC(C)(CNC1CC1)CN1CCSCC1.
What is the InChIKey of N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine?
The InChIKey is OQTAYHTWXWLUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-3-13(2,10-14-12-4-5-12)11-15-6-8-16-9-7-15/h12,14H,3-11H2,1-2H3.
What are the key properties of N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine?
N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine has a molecular weight of 242.43 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine is sourced from PubChem (CID 62262514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).