N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine

C12H23N3S — CID 82876191

IUPACN-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCNC(CSCC(C)C)Cc1ccn(C)n1
InChIInChI=1S/C12H23N3S/c1-10(2)8-16-9-12(13-3)7-11-5-6-15(4)14-11/h5-6,10,12-13H,7-9H2,1-4H3
InChIKeyYFKHTEGKGHXNTH-UHFFFAOYSA-N
MW241.40 g/mol
LogP1.94
Rot. Bonds7

About N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine

N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine (PubChem CID 82876191) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine
PubChem CID82876191
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCNC(CSCC(C)C)Cc1ccn(C)n1
InChIInChI=1S/C12H23N3S/c1-10(2)8-16-9-12(13-3)7-11-5-6-15(4)14-11/h5-6,10,12-13H,7-9H2,1-4H3
InChIKeyYFKHTEGKGHXNTH-UHFFFAOYSA-N
XLogP1.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 65135128
1-methoxy-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876638
N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 82877634
1-(2-methylpropylamino)-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82871126
1-(2,6-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 105025395
[1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105226952
1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 82878098
1-(3,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 105025553
[1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105227116
N-methyl-1-(1-methylpyrazol-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 82877070
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82877670
3-(3-chloro-2-methylbutyl)-1-methylpyrazole
CID 82876102

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine (CID 82876191) is N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine is CNC(CSCC(C)C)Cc1ccn(C)n1.
What is the InChIKey of N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine?
The InChIKey is YFKHTEGKGHXNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-10(2)8-16-9-12(13-3)7-11-5-6-15(4)14-11/h5-6,10,12-13H,7-9H2,1-4H3.
What are the key properties of N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine?
N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 82876191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).