(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine

C10H18N4O2S — CID 113282433

IUPAC(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](N)C1
InChIInChI=1S/C10H18N4O2S/c1-7-10(8(2)13(3)12-7)17(15,16)14-5-4-9(11)6-14/h9H,4-6,11H2,1-3H3/t9-/m0/s1
InChIKeyNXUYRPBQPKOXGS-VIFPVBQESA-N
MW258.35 g/mol
LogP-0.24
Rot. Bonds2

About (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine

(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine (PubChem CID 113282433) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
PubChem CID113282433
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](N)C1
InChIInChI=1S/C10H18N4O2S/c1-7-10(8(2)13(3)12-7)17(15,16)14-5-4-9(11)6-14/h9H,4-6,11H2,1-3H3/t9-/m0/s1
InChIKeyNXUYRPBQPKOXGS-VIFPVBQESA-N
XLogP-0.24
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
CID 66291193
N-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977934
4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 90586561
2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121184119
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 79001470
N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
CID 114498903
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine
CID 91812382
N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987891
1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-amine
CID 62061770
2-(chloromethyl)-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine
CID 81212496
N-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 62061935
9-hydroxy-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazecan-4-one
CID 167796603

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine (CID 113282433) is (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine is Cc1nn(C)c(C)c1S(=O)(=O)N1CC[C@H](N)C1.
What is the InChIKey of (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine?
The InChIKey is NXUYRPBQPKOXGS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-7-10(8(2)13(3)12-7)17(15,16)14-5-4-9(11)6-14/h9H,4-6,11H2,1-3H3/t9-/m0/s1.
What are the key properties of (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine?
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine has a molecular weight of 258.35 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 113282433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).