N,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine

C14H20N4O2S2 — CID 97404986

IUPACN,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine
SMILESCN(C)Cc1nn(C)c2c1CCN(S(=O)(=O)c1cccs1)C2
InChIInChI=1S/C14H20N4O2S2/c1-16(2)9-12-11-6-7-18(10-13(11)17(3)15-12)22(19,20)14-5-4-8-21-14/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyWSEYVGZEVIPUDC-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.29
Rot. Bonds4

About N,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine

N,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine (PubChem CID 97404986) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine
PubChem CID97404986
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC NameN,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine
SMILESCN(C)Cc1nn(C)c2c1CCN(S(=O)(=O)c1cccs1)C2
InChIInChI=1S/C14H20N4O2S2/c1-16(2)9-12-11-6-7-18(10-13(11)17(3)15-12)22(19,20)14-5-4-8-21-14/h4-5,8H,6-7,9-10H2,1-3H3
InChIKeyWSEYVGZEVIPUDC-UHFFFAOYSA-N
XLogP1.29
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine (CID 97404986) is N,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine is CN(C)Cc1nn(C)c2c1CCN(S(=O)(=O)c1cccs1)C2.
What is the InChIKey of N,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine?
The InChIKey is WSEYVGZEVIPUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-16(2)9-12-11-6-7-18(10-13(11)17(3)15-12)22(19,20)14-5-4-8-21-14/h4-5,8H,6-7,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine?
N,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine has a molecular weight of 340.47 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-methyl-6-thiophen-2-ylsulfonyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methanamine is sourced from PubChem (CID 97404986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).