(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide

C15H35N5OS — CID 11088924

IUPAC(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C15H35N5OS/c1-22-13-6-14(17)15(21)20-12-5-11-19-9-3-2-8-18-10-4-7-16/h14,18-19H,2-13,16-17H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyFAANSMZCXDHAAV-AWEZNQCLSA-N
MW333.55 g/mol
LogP-0.12
Rot. Bonds16

About (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide

(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide (PubChem CID 11088924) has the molecular formula C15H35N5OS and a molecular weight of 333.55 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide
PubChem CID11088924
Molecular FormulaC15H35N5OS
Molecular Weight333.55 g/mol
Exact Mass333.26
IUPAC Name(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCCCNCCCCNCCCN
InChIInChI=1S/C15H35N5OS/c1-22-13-6-14(17)15(21)20-12-5-11-19-9-3-2-8-18-10-4-7-16/h14,18-19H,2-13,16-17H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyFAANSMZCXDHAAV-AWEZNQCLSA-N
XLogP-0.12
TPSA105.20 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 5-0.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-Acetyl-DL-methioninamide
CID 536763
(S)-2-Acetamido-4-(methylthio)butanamide
CID 7004900
(2R)-N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145980045
2-acetamido-N-ethyl-3-(methylsulfanyl)propanamide
CID 13048727
(2s)-2-(Acetylamino)-N-Methyl-4-[(R)-Methylsulfinyl]butanamide
CID 44228992
H-Met-Ala-Gly-Ala-Ala-Ala-Ala-Gly-Ala-NH2
CID 25148181
(2R)-2-amino-N-hexadecyl-3-methylsulfanylpropanamide
CID 46231530
3,6-Bis(2-(methylthio)ethyl)-2,5-piperazinedione
CID 169842
2-amino-N-methyl-4-(methylsulfanyl)butanamide
CID 10034922
2-acetamido-N,N-dimethyl-4-(methylsulfanyl)butanamide
CID 5245532
2-amino-N-methyl-4-(methylsulfanyl)butanamide hydrochloride
CID 20545820
(2S)-2-amino-N-methyl-4-(methylsulfanyl)butanamide hydrochloride
CID 22815139

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide (CID 11088924) is (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NCCCNCCCCNCCCN.
What is the InChIKey of (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide?
The InChIKey is FAANSMZCXDHAAV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H35N5OS/c1-22-13-6-14(17)15(21)20-12-5-11-19-9-3-2-8-18-10-4-7-16/h14,18-19H,2-13,16-17H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide?
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide has a molecular weight of 333.55 g/mol, XLogP of -0.12, 16 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 11088924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).