N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine

C14H20N4O2S2 — CID 86808535

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine
SMILESCc1[nH]ncc1CNCc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C14H20N4O2S2/c1-11-12(9-16-17-11)8-15-10-13-4-5-14(21-13)22(19,20)18-6-2-3-7-18/h4-5,9,15H,2-3,6-8,10H2,1H3,(H,16,17)
InChIKeyMZTVLIPWSUGNRQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.85
Rot. Bonds6

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine (PubChem CID 86808535) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine
PubChem CID86808535
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine
SMILESCc1[nH]ncc1CNCc1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C14H20N4O2S2/c1-11-12(9-16-17-11)8-15-10-13-4-5-14(21-13)22(19,20)18-6-2-3-7-18/h4-5,9,15H,2-3,6-8,10H2,1H3,(H,16,17)
InChIKeyMZTVLIPWSUGNRQ-UHFFFAOYSA-N
XLogP1.85
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 60761461
2-[5-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894868
5-(methylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106015128
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-(4-methylphenyl)acetamide
CID 53112471
N-[(4-methylphenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 26119177
2-methyl-N-[2-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methylcarbamoylamino]ethyl]propanamide
CID 36973453
1-(7-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanone
CID 167970686
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 54896671
2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 26061260
4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17436138
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111522545
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane
CID 54929965

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine (CID 86808535) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine is Cc1[nH]ncc1CNCc1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine?
The InChIKey is MZTVLIPWSUGNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-11-12(9-16-17-11)8-15-10-13-4-5-14(21-13)22(19,20)18-6-2-3-7-18/h4-5,9,15H,2-3,6-8,10H2,1H3,(H,16,17).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine has a molecular weight of 340.47 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanamine is sourced from PubChem (CID 86808535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).