N-pentyl-4-sulfanylbutanamide

C9H19NOS — CID 88984184

IUPACN-pentyl-4-sulfanylbutanamide
SMILESCCCCCNC(=O)CCCS
InChIInChI=1S/C9H19NOS/c1-2-3-4-7-10-9(11)6-5-8-12/h12H,2-8H2,1H3,(H,10,11)
InChIKeyRTQMLSDPMBUTPN-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.00
Rot. Bonds7

About N-pentyl-4-sulfanylbutanamide

N-pentyl-4-sulfanylbutanamide (PubChem CID 88984184) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-pentyl-4-sulfanylbutanamide.

Molecular Properties

Compound NameN-pentyl-4-sulfanylbutanamide
PubChem CID88984184
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-pentyl-4-sulfanylbutanamide
SMILESCCCCCNC(=O)CCCS
InChIInChI=1S/C9H19NOS/c1-2-3-4-7-10-9(11)6-5-8-12/h12H,2-8H2,1H3,(H,10,11)
InChIKeyRTQMLSDPMBUTPN-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-dodecyl-4-sulfanylbutanamide
CID 139637392
N-(5-sulfanylpentyl)hexanamide
CID 178061899
N-hexyl-8-sulfanyloctanamide
CID 101094845
N-pentyl-11-sulfanylundecanamide
CID 102272005
N-pentylicosanamide
CID 139961886
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-tetradecylpentanamide
CID 87172595
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-sulfanylbutanamide?
The IUPAC name of N-pentyl-4-sulfanylbutanamide (CID 88984184) is N-pentyl-4-sulfanylbutanamide.
What is the SMILES notation for N-pentyl-4-sulfanylbutanamide?
The canonical SMILES for N-pentyl-4-sulfanylbutanamide is CCCCCNC(=O)CCCS.
What is the InChIKey of N-pentyl-4-sulfanylbutanamide?
The InChIKey is RTQMLSDPMBUTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-2-3-4-7-10-9(11)6-5-8-12/h12H,2-8H2,1H3,(H,10,11).
What are the key properties of N-pentyl-4-sulfanylbutanamide?
N-pentyl-4-sulfanylbutanamide has a molecular weight of 189.32 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-sulfanylbutanamide is sourced from PubChem (CID 88984184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).