N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine

C15H22N4S2 — CID 103917506

IUPACN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine
SMILESCn1ccnc1C(NCCN1CCSCC1)c1cccs1
InChIInChI=1S/C15H22N4S2/c1-18-6-4-17-15(18)14(13-3-2-10-21-13)16-5-7-19-8-11-20-12-9-19/h2-4,6,10,14,16H,5,7-9,11-12H2,1H3
InChIKeyGSOWMBZTSLQBLG-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.21
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine (PubChem CID 103917506) has the molecular formula C15H22N4S2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine
PubChem CID103917506
Molecular FormulaC15H22N4S2
Molecular Weight322.50 g/mol
Exact Mass322.13
IUPAC NameN-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine
SMILESCn1ccnc1C(NCCN1CCSCC1)c1cccs1
InChIInChI=1S/C15H22N4S2/c1-18-6-4-17-15(18)14(13-3-2-10-21-13)16-5-7-19-8-11-20-12-9-19/h2-4,6,10,14,16H,5,7-9,11-12H2,1H3
InChIKeyGSOWMBZTSLQBLG-UHFFFAOYSA-N
XLogP2.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
CID 60904183
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967
1-(1-methylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 61349832
N',N'-diethyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,3-diamine
CID 43763148
N-(cyclobutylmethyl)-1-(1-methylimidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 43775172
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide
CID 103917729
3-ethenoxy-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43771214
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-2-en-1-amine
CID 114154687
2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 54913424

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine (CID 103917506) is N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine is Cn1ccnc1C(NCCN1CCSCC1)c1cccs1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine?
The InChIKey is GSOWMBZTSLQBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S2/c1-18-6-4-17-15(18)14(13-3-2-10-21-13)16-5-7-19-8-11-20-12-9-19/h2-4,6,10,14,16H,5,7-9,11-12H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine?
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine has a molecular weight of 322.50 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine is sourced from PubChem (CID 103917506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).