(2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine

C11H21N5S — CID 165474891

IUPAC(2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine
SMILESCSCC[C@@H](N)CNc1ccnn1C1CNC1
InChIInChI=1S/C11H21N5S/c1-17-5-3-9(12)6-14-11-2-4-15-16(11)10-7-13-8-10/h2,4,9-10,13-14H,3,5-8,12H2,1H3/t9-/m1/s1
InChIKeyNRWNVRIUGBWORQ-SECBINFHSA-N
MW255.39 g/mol
LogP0.52
Rot. Bonds7

About (2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine

(2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine (PubChem CID 165474891) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is (2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine
PubChem CID165474891
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name(2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine
SMILESCSCC[C@@H](N)CNc1ccnn1C1CNC1
InChIInChI=1S/C11H21N5S/c1-17-5-3-9(12)6-14-11-2-4-15-16(11)10-7-13-8-10/h2,4,9-10,13-14H,3,5-8,12H2,1H3/t9-/m1/s1
InChIKeyNRWNVRIUGBWORQ-SECBINFHSA-N
XLogP0.52
TPSA67.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutanamide
CID 165482729
1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-propan-2-ylbutane-1,3-diamine
CID 165483224
1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine
CID 165483213
3-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide
CID 165484929
N-[(2-aminophenyl)methyl]-2-(azetidin-3-yl)pyrazol-3-amine
CID 165474893
2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide
CID 165484923
N-(2-azabicyclo[4.1.0]heptan-1-ylmethyl)-2-(azetidin-3-yl)pyrazol-3-amine
CID 165474174
2-(azetidin-3-yl)-N-[2-(3-methylazetidin-3-yl)oxyethyl]pyrazol-3-amine
CID 165484802
2-(azetidin-3-yl)-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 165474821
(2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide
CID 165484852
2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]pent-4-enamide
CID 165474812
2-(azetidin-3-yl)-N-(2-morpholin-2-ylethyl)pyrazol-3-amine
CID 165484747

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine?
The IUPAC name of (2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine (CID 165474891) is (2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine?
The canonical SMILES for (2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine is CSCC[C@@H](N)CNc1ccnn1C1CNC1.
What is the InChIKey of (2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine?
The InChIKey is NRWNVRIUGBWORQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H21N5S/c1-17-5-3-9(12)6-14-11-2-4-15-16(11)10-7-13-8-10/h2,4,9-10,13-14H,3,5-8,12H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine?
(2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine has a molecular weight of 255.39 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-4-methylsulfanylbutane-1,2-diamine is sourced from PubChem (CID 165474891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).