2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide

C14H22N2OS — CID 81168869

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide
SMILESCC(Cc1ccsc1)NC(=O)CC1(CN)CCC1
InChIInChI=1S/C14H22N2OS/c1-11(7-12-3-6-18-9-12)16-13(17)8-14(10-15)4-2-5-14/h3,6,9,11H,2,4-5,7-8,10,15H2,1H3,(H,16,17)
InChIKeyDSCKSMGWKQGOFQ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.31
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide (PubChem CID 81168869) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide
PubChem CID81168869
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide
SMILESCC(Cc1ccsc1)NC(=O)CC1(CN)CCC1
InChIInChI=1S/C14H22N2OS/c1-11(7-12-3-6-18-9-12)16-13(17)8-14(10-15)4-2-5-14/h3,6,9,11H,2,4-5,7-8,10,15H2,1H3,(H,16,17)
InChIKeyDSCKSMGWKQGOFQ-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclobutyl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 79853944
1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 80588942
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742
1-cyano-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 78994589
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 103155651
2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide
CID 113440144
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 81349203
2-piperidin-3-yl-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 62676356
3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 62831629
2-[1-(aminomethyl)cyclobutyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 81178711
1-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 64553804

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide (CID 81168869) is 2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide is CC(Cc1ccsc1)NC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide?
The InChIKey is DSCKSMGWKQGOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(7-12-3-6-18-9-12)16-13(17)8-14(10-15)4-2-5-14/h3,6,9,11H,2,4-5,7-8,10,15H2,1H3,(H,16,17).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide has a molecular weight of 266.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide is sourced from PubChem (CID 81168869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).