N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine

C14H17NOS2 — CID 107558820

IUPACN-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
SMILESc1csc(COCc2ccc(CNC3CC3)s2)c1
InChIInChI=1S/C14H17NOS2/c1-2-13(17-7-1)9-16-10-14-6-5-12(18-14)8-15-11-3-4-11/h1-2,5-7,11,15H,3-4,8-10H2
InChIKeyKFCIDCGMSCMGME-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.78
Rot. Bonds7

About N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine

N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107558820) has the molecular formula C14H17NOS2 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107558820
Molecular FormulaC14H17NOS2
Molecular Weight279.43 g/mol
Exact Mass279.08
IUPAC NameN-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
SMILESc1csc(COCc2ccc(CNC3CC3)s2)c1
InChIInChI=1S/C14H17NOS2/c1-2-13(17-7-1)9-16-10-14-6-5-12(18-14)8-15-11-3-4-11/h1-2,5-7,11,15H,3-4,8-10H2
InChIKeyKFCIDCGMSCMGME-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(thiophen-2-ylmethoxy)ethyl]cyclopropanamine
CID 62485246
N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107557963
N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558277
N-[[3-bromo-4-(thiophen-2-ylmethoxymethyl)phenyl]methyl]cyclopropanamine
CID 102773450
4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
4-fluoro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 130678026
N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558814
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559240
N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60879896
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 961311
cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 95376419

Frequently Asked Questions

What is the IUPAC name of N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine (CID 107558820) is N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine is c1csc(COCc2ccc(CNC3CC3)s2)c1.
What is the InChIKey of N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is KFCIDCGMSCMGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS2/c1-2-13(17-7-1)9-16-10-14-6-5-12(18-14)8-15-11-3-4-11/h1-2,5-7,11,15H,3-4,8-10H2.
What are the key properties of N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 279.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107558820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).