N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide

C11H18N2O2S — CID 66385318

IUPACN-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide
SMILESCCC(CO)NCc1sccc1NC(C)=O
InChIInChI=1S/C11H18N2O2S/c1-3-9(7-14)12-6-11-10(4-5-16-11)13-8(2)15/h4-5,9,12,14H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyCXFZTPGBSPACQZ-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.57
Rot. Bonds6

About N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide

N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide (PubChem CID 66385318) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide
PubChem CID66385318
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide
SMILESCCC(CO)NCc1sccc1NC(C)=O
InChIInChI=1S/C11H18N2O2S/c1-3-9(7-14)12-6-11-10(4-5-16-11)13-8(2)15/h4-5,9,12,14H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyCXFZTPGBSPACQZ-UHFFFAOYSA-N
XLogP1.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide (CID 66385318) is N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide is CCC(CO)NCc1sccc1NC(C)=O.
What is the InChIKey of N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide?
The InChIKey is CXFZTPGBSPACQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-9(7-14)12-6-11-10(4-5-16-11)13-8(2)15/h4-5,9,12,14H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide?
N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide has a molecular weight of 242.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxybutan-2-ylamino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66385318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).