(2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide

C12H24N2OS — CID 97017595

IUPAC(2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide
SMILESCS[C@H](C)C(=O)NCCN(C(C)C)C1CC1
InChIInChI=1S/C12H24N2OS/c1-9(2)14(11-5-6-11)8-7-13-12(15)10(3)16-4/h9-11H,5-8H2,1-4H3,(H,13,15)/t10-/m1/s1
InChIKeyPZONMNMTNYWNPE-SNVBAGLBSA-N
MW244.40 g/mol
LogP1.73
Rot. Bonds7

About (2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide

(2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide (PubChem CID 97017595) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is (2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide
PubChem CID97017595
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name(2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide
SMILESCS[C@H](C)C(=O)NCCN(C(C)C)C1CC1
InChIInChI=1S/C12H24N2OS/c1-9(2)14(11-5-6-11)8-7-13-12(15)10(3)16-4/h9-11H,5-8H2,1-4H3,(H,13,15)/t10-/m1/s1
InChIKeyPZONMNMTNYWNPE-SNVBAGLBSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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S-[2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]ethyl] ethanethioate
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2-Amino-3-(methylsulfanyl)-1-(piperazin-1-yl)propan-1-one
CID 82506609
2-amino-3-(methylsulfanyl)-N-[3-(methylsulfanyl)propyl]propanamide
CID 85650766
l-Methionine ethylamide
CID 22815132
N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide
CID 71941303
N-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 71941853
N-methyl-2-[2-(methylamino)-2-oxoethyl]sulfanyl-N-propan-2-ylpropanamide
CID 121519531
(2S)-2-amino-N-(1-ethylsulfanylpropan-2-yl)-N-methylbutanamide
CID 121522565

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide?
The IUPAC name of (2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide (CID 97017595) is (2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide is CS[C@H](C)C(=O)NCCN(C(C)C)C1CC1.
What is the InChIKey of (2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide?
The InChIKey is PZONMNMTNYWNPE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-9(2)14(11-5-6-11)8-7-13-12(15)10(3)16-4/h9-11H,5-8H2,1-4H3,(H,13,15)/t10-/m1/s1.
What are the key properties of (2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide?
(2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide has a molecular weight of 244.40 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 97017595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).