N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine

C14H21FN2O2S2 — CID 102920286

IUPACN-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(F)cc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C14H21FN2O2S2/c1-11(2)16-10-12-3-4-13(15)9-14(12)21(18,19)17-5-7-20-8-6-17/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyMEPKWRSVUAFERN-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.06
Rot. Bonds5

About N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine

N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine (PubChem CID 102920286) has the molecular formula C14H21FN2O2S2 and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
PubChem CID102920286
Molecular FormulaC14H21FN2O2S2
Molecular Weight332.47 g/mol
Exact Mass332.10
IUPAC NameN-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(F)cc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C14H21FN2O2S2/c1-11(2)16-10-12-3-4-13(15)9-14(12)21(18,19)17-5-7-20-8-6-17/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyMEPKWRSVUAFERN-UHFFFAOYSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920255
N-[[4-fluoro-2-(2-methylthiomorpholin-4-yl)sulfonylphenyl]methyl]ethanamine
CID 102921045
N-[(4-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60822628
1-[4-fluoro-2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 102920281
N-[[5-fluoro-2-(1,4-thiazepan-4-yl)phenyl]methyl]propan-2-amine
CID 61419095
N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 102920201
5-fluoro-N-(2-methylbutan-2-yl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106031452
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920741
[2-(4-ethylpiperazin-1-yl)sulfonyl-4-fluorophenyl]methanamine
CID 102920270
N-[(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanamine
CID 102920207
1-[3-fluoro-4-(1,4-thiazepan-4-ylsulfonyl)phenyl]-N-methylmethanamine
CID 79189769

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine (CID 102920286) is N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine is CC(C)NCc1ccc(F)cc1S(=O)(=O)N1CCSCC1.
What is the InChIKey of N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine?
The InChIKey is MEPKWRSVUAFERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S2/c1-11(2)16-10-12-3-4-13(15)9-14(12)21(18,19)17-5-7-20-8-6-17/h3-4,9,11,16H,5-8,10H2,1-2H3.
What are the key properties of N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine?
N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine has a molecular weight of 332.47 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-thiomorpholin-4-ylsulfonylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 102920286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).