N-[2-(sulfanylamino)ethyl]heptanamide

C9H20N2OS — CID 123216735

IUPACN-[2-(sulfanylamino)ethyl]heptanamide
SMILESCCCCCCC(=O)NCCNS
InChIInChI=1S/C9H20N2OS/c1-2-3-4-5-6-9(12)10-7-8-11-13/h11,13H,2-8H2,1H3,(H,10,12)
InChIKeyBTAMTEINXBYGSL-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.51
Rot. Bonds8

About N-[2-(sulfanylamino)ethyl]heptanamide

N-[2-(sulfanylamino)ethyl]heptanamide (PubChem CID 123216735) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is N-[2-(sulfanylamino)ethyl]heptanamide.

Molecular Properties

Compound NameN-[2-(sulfanylamino)ethyl]heptanamide
PubChem CID123216735
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC NameN-[2-(sulfanylamino)ethyl]heptanamide
SMILESCCCCCCC(=O)NCCNS
InChIInChI=1S/C9H20N2OS/c1-2-3-4-5-6-9(12)10-7-8-11-13/h11,13H,2-8H2,1H3,(H,10,12)
InChIKeyBTAMTEINXBYGSL-UHFFFAOYSA-N
XLogP1.51
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783

Frequently Asked Questions

What is the IUPAC name of N-[2-(sulfanylamino)ethyl]heptanamide?
The IUPAC name of N-[2-(sulfanylamino)ethyl]heptanamide (CID 123216735) is N-[2-(sulfanylamino)ethyl]heptanamide.
What is the SMILES notation for N-[2-(sulfanylamino)ethyl]heptanamide?
The canonical SMILES for N-[2-(sulfanylamino)ethyl]heptanamide is CCCCCCC(=O)NCCNS.
What is the InChIKey of N-[2-(sulfanylamino)ethyl]heptanamide?
The InChIKey is BTAMTEINXBYGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-2-3-4-5-6-9(12)10-7-8-11-13/h11,13H,2-8H2,1H3,(H,10,12).
What are the key properties of N-[2-(sulfanylamino)ethyl]heptanamide?
N-[2-(sulfanylamino)ethyl]heptanamide has a molecular weight of 204.34 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(sulfanylamino)ethyl]heptanamide is sourced from PubChem (CID 123216735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).