N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C15H16N4O3S3 — CID 34007003

IUPACN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESO=S(=O)(c1ccc(CNc2ncnc3sccc23)s1)N1CCOCC1
InChIInChI=1S/C15H16N4O3S3/c20-25(21,19-4-6-22-7-5-19)13-2-1-11(24-13)9-16-14-12-3-8-23-15(12)18-10-17-14/h1-3,8,10H,4-7,9H2,(H,16,17,18)
InChIKeyKCGLKRPOKDQSPJ-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.39
Rot. Bonds5

About N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 34007003) has the molecular formula C15H16N4O3S3 and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID34007003
Molecular FormulaC15H16N4O3S3
Molecular Weight396.52 g/mol
Exact Mass396.04
IUPAC NameN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESO=S(=O)(c1ccc(CNc2ncnc3sccc23)s1)N1CCOCC1
InChIInChI=1S/C15H16N4O3S3/c20-25(21,19-4-6-22-7-5-19)13-2-1-11(24-13)9-16-14-12-3-8-23-15(12)18-10-17-14/h1-3,8,10H,4-7,9H2,(H,16,17,18)
InChIKeyKCGLKRPOKDQSPJ-UHFFFAOYSA-N
XLogP2.39
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]pyridin-2-amine
CID 133373307
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
(7R)-7-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 41272512
4-(3-chloro-4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)sulfonylmorpholine
CID 2378003
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133342162
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide
CID 32742505
1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 55608122
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 17418626
2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 120984439
5-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfonamide
CID 25315799
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
2-(3,4-dimethylphenoxy)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 41248003

Frequently Asked Questions

What is the IUPAC name of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 34007003) is N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is O=S(=O)(c1ccc(CNc2ncnc3sccc23)s1)N1CCOCC1.
What is the InChIKey of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KCGLKRPOKDQSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S3/c20-25(21,19-4-6-22-7-5-19)13-2-1-11(24-13)9-16-14-12-3-8-23-15(12)18-10-17-14/h1-3,8,10H,4-7,9H2,(H,16,17,18).
What are the key properties of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 396.52 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 34007003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).