N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide

C12H18N2O2S — CID 106435169

IUPACN-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
SMILESO=C(CNCC(O)c1ccsc1)NCC1CC1
InChIInChI=1S/C12H18N2O2S/c15-11(10-3-4-17-8-10)6-13-7-12(16)14-5-9-1-2-9/h3-4,8-9,11,13,15H,1-2,5-7H2,(H,14,16)
InChIKeyXMHGWNDNAWAGCI-UHFFFAOYSA-N
MW254.35 g/mol
LogP0.90
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide

N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide (PubChem CID 106435169) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
PubChem CID106435169
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
SMILESO=C(CNCC(O)c1ccsc1)NCC1CC1
InChIInChI=1S/C12H18N2O2S/c15-11(10-3-4-17-8-10)6-13-7-12(16)14-5-9-1-2-9/h3-4,8-9,11,13,15H,1-2,5-7H2,(H,14,16)
InChIKeyXMHGWNDNAWAGCI-UHFFFAOYSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 106435052
2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]prop-2-enoic acid
CID 106435902
N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide
CID 60976875
N-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 114188533
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
2-(4-aminopiperidin-1-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103812158
2-(cyclopropylmethylamino)-N-(2-hydroxy-2-phenylethyl)acetamide;hydrochloride
CID 119676983
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanoate
CID 106435089
2-[cyclopropyl(methyl)amino]-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 111441285
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 111443181
N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953236
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106435072

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide (CID 106435169) is N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide is O=C(CNCC(O)c1ccsc1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide?
The InChIKey is XMHGWNDNAWAGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-11(10-3-4-17-8-10)6-13-7-12(16)14-5-9-1-2-9/h3-4,8-9,11,13,15H,1-2,5-7H2,(H,14,16).
What are the key properties of N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide?
N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide has a molecular weight of 254.35 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide is sourced from PubChem (CID 106435169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).