N-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide

C10H22N2OS2 — CID 23104560

IUPACN-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide
SMILESCN(C)CCNC(=O)C(CS)CCCS
InChIInChI=1S/C10H22N2OS2/c1-12(2)6-5-11-10(13)9(8-15)4-3-7-14/h9,14-15H,3-8H2,1-2H3,(H,11,13)
InChIKeyVKRQDSMMZAEJTD-UHFFFAOYSA-N
MW250.43 g/mol
LogP0.92
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide

N-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide (PubChem CID 23104560) has the molecular formula C10H22N2OS2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide
PubChem CID23104560
Molecular FormulaC10H22N2OS2
Molecular Weight250.43 g/mol
Exact Mass250.12
IUPAC NameN-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide
SMILESCN(C)CCNC(=O)C(CS)CCCS
InChIInChI=1S/C10H22N2OS2/c1-12(2)6-5-11-10(13)9(8-15)4-3-7-14/h9,14-15H,3-8H2,1-2H3,(H,11,13)
InChIKeyVKRQDSMMZAEJTD-UHFFFAOYSA-N
XLogP0.92
TPSA32.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methyl-N-(3-methylbutyl)pentanamide
CID 44351835
(2S,3R)-N-((S)-1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-mercaptoacetamido)-3-methylpentanamide
CID 46882644
(2S,3R)-N-((S)-1-amino-4-methyl-1-oxopentan-2-yl)-2-(2-mercaptoacetamido)-3-methylpentanamide
CID 46882645
Leucinamide, N-(2-mercaptoethyl)-, hydrobromide
CID 3078312
(4R)-4-[[(2-amino-3-methylbutanoyl)amino]methyl]-5-sulfanylpentanamide
CID 44343387
(S)-2-((S)-2-(2-mercaptoacetamido)propanamido)-4-methylpentanamide
CID 46882165
(2S)-4-methyl-2-[[(2S)-4-methylsulfanyl-2-[(2-sulfanylacetyl)amino]butanoyl]amino]pentanamide
CID 46882206
(2S)-4-methyl-2-[[(2R)-3-sulfanyl-2-[(2-sulfanylacetyl)amino]propanoyl]amino]pentanamide
CID 46882280
(S)-2-((S)-2-(2-mercaptoacetamido)-3-methylbutanamido)-4-methylpentanamide
CID 46882426
(S)-2-(2-(2-mercaptoacetamido)acetamido)-4-methylpentanamide
CID 46882497
(2S)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-4-methyl-2-[(2-sulfanylacetyl)amino]pentanamide
CID 46882768
(S)-N-((S)-1-amino-4-methyl-1-oxopentan-2-yl)-2-(2-mercaptoacetamido)-4-methylpentanamide
CID 46882769

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide (CID 23104560) is N-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide is CN(C)CCNC(=O)C(CS)CCCS.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide?
The InChIKey is VKRQDSMMZAEJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS2/c1-12(2)6-5-11-10(13)9(8-15)4-3-7-14/h9,14-15H,3-8H2,1-2H3,(H,11,13).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide?
N-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide has a molecular weight of 250.43 g/mol, XLogP of 0.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide is sourced from PubChem (CID 23104560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).