N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine

C16H24N2OS — CID 21192595

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine
SMILESc1cc(NC2CCSCC2)ccc1CN1CCOCC1
InChIInChI=1S/C16H24N2OS/c1-3-15(17-16-5-11-20-12-6-16)4-2-14(1)13-18-7-9-19-10-8-18/h1-4,16-17H,5-13H2
InChIKeyCFACLQPFBANYOC-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.83
Rot. Bonds4

About N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine

N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine (PubChem CID 21192595) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine
PubChem CID21192595
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine
SMILESc1cc(NC2CCSCC2)ccc1CN1CCOCC1
InChIInChI=1S/C16H24N2OS/c1-3-15(17-16-5-11-20-12-6-16)4-2-14(1)13-18-7-9-19-10-8-18/h1-4,16-17H,5-13H2
InChIKeyCFACLQPFBANYOC-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine
CID 21192616
N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothiolan-3-amine
CID 63162966
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]oxolan-3-amine
CID 82726679
N-[4-(pyrazol-1-ylmethyl)phenyl]thian-4-amine
CID 54863506
N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide
CID 134584192
4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine
CID 79724721
4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593760
1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
CID 43684534
2-[4-(morpholin-4-ylmethyl)phenyl]-N-(thian-4-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 157047817
2,2-dimethyl-3-[4-(morpholin-4-ylmethyl)anilino]cyclobutan-1-ol
CID 115972171
N-(4-piperidin-1-ylphenyl)thian-4-amine
CID 43715688
N-[4-[(dimethylamino)methyl]phenyl]thian-4-amine
CID 43747361

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine (CID 21192595) is N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine is c1cc(NC2CCSCC2)ccc1CN1CCOCC1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine?
The InChIKey is CFACLQPFBANYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-15(17-16-5-11-20-12-6-16)4-2-14(1)13-18-7-9-19-10-8-18/h1-4,16-17H,5-13H2.
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine?
N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine has a molecular weight of 292.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine is sourced from PubChem (CID 21192595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).