N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide

C10H20N2OS — CID 114752749

IUPACN-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide
SMILESCCCCCCC(=O)NC(C)C(N)=S
InChIInChI=1S/C10H20N2OS/c1-3-4-5-6-7-9(13)12-8(2)10(11)14/h8H,3-7H2,1-2H3,(H2,11,14)(H,12,13)
InChIKeyCEPXZDASIGCFIL-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.75
Rot. Bonds7

About N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide

N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide (PubChem CID 114752749) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide
PubChem CID114752749
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide
SMILESCCCCCCC(=O)NC(C)C(N)=S
InChIInChI=1S/C10H20N2OS/c1-3-4-5-6-7-9(13)12-8(2)10(11)14/h8H,3-7H2,1-2H3,(H2,11,14)(H,12,13)
InChIKeyCEPXZDASIGCFIL-UHFFFAOYSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide
CID 65449719
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)dodecanamide
CID 65448032
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide
CID 65450288
(2S)-2-(heptanoylamino)propanoic acid
CID 59127847
N-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948
methyl (2S)-2-(7-oxododecanoylamino)propanoate
CID 54049046
N-(1-amino-1-hydroxyiminopropan-2-yl)decanamide
CID 77069097
N-pentan-2-ylundecanamide
CID 173258559
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
2-(dodecanoylamino)propanoyl chloride
CID 146268547
N-butan-2-ylhexacosanamide
CID 163047877
N-octadecan-2-ylhexadecanamide
CID 87600664

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide (CID 114752749) is N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide is CCCCCCC(=O)NC(C)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide?
The InChIKey is CEPXZDASIGCFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-4-5-6-7-9(13)12-8(2)10(11)14/h8H,3-7H2,1-2H3,(H2,11,14)(H,12,13).
What are the key properties of N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide?
N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide has a molecular weight of 216.35 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide is sourced from PubChem (CID 114752749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).