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

C12H24N2OS — CID 97017596

IUPAC(2S)-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-/m0/s1
InChIKeyPZONMNMTNYWNPE-JTQLQIEISA-N
MW244.40 g/mol
LogP1.73
Rot. Bonds7

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

(2S)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide (PubChem CID 97017596) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is (2S)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide
PubChem CID97017596
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name(2S)-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-/m0/s1
InChIKeyPZONMNMTNYWNPE-JTQLQIEISA-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

(2R)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide
CID 97017595
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-hydroxybutyl)urea
CID 111337403
2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide
CID 71941856
2-methylsulfanyl-N-propylpropanamide
CID 131085433
N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide
CID 59205246
N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2,3,6-trifluorobenzamide
CID 86797686
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111609522
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 75374803
1-cyclopentyl-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 110992105
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]urea
CID 71932185
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 86887365
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111450631

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide?
The IUPAC name of (2S)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide (CID 97017596) is (2S)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide?
The canonical SMILES for (2S)-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 (2S)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide?
The InChIKey is PZONMNMTNYWNPE-JTQLQIEISA-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-/m0/s1.
What are the key properties of (2S)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide?
(2S)-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 (2S)-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 97017596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).