CID 153336610

C15H28BN2O3S2 — CID 153336610

IUPAC—
SMILESC[B]C#CCOCCNC(=O)CCCCOCSSCCNC
InChIInChI=1S/C15H28BN2O3S2/c1-16-7-5-11-20-12-8-18-15(19)6-3-4-10-21-14-23-22-13-9-17-2/h17H,3-4,6,8-14H2,1-2H3,(H,18,19)
InChIKeyOVJRVDOMMRMVJW-UHFFFAOYSA-N
MW359.35 g/mol
LogP1.58
Rot. Bonds15

About CID 153336610

CID 153336610 (PubChem CID 153336610) has the molecular formula C15H28BN2O3S2 and a molecular weight of 359.35 g/mol.

Molecular Properties

Compound NameCID 153336610
PubChem CID153336610
Molecular FormulaC15H28BN2O3S2
Molecular Weight359.35 g/mol
Exact Mass359.16
IUPAC Name—
SMILESC[B]C#CCOCCNC(=O)CCCCOCSSCCNC
InChIInChI=1S/C15H28BN2O3S2/c1-16-7-5-11-20-12-8-18-15(19)6-3-4-10-21-14-23-22-13-9-17-2/h17H,3-4,6,8-14H2,1-2H3,(H,18,19)
InChIKeyOVJRVDOMMRMVJW-UHFFFAOYSA-N
XLogP1.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]-N-prop-2-enylpentanamide
CID 146499201
1-(2-pent-2-ynoxyethylamino)-6-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]hexan-2-one
CID 153366133
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N'-[2-[2-[[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]ethyldisulfanyl]ethyl]butanediamide
CID 50942114
6-[[2-(propan-2-ylamino)ethyldisulfanyl]methoxy]hexan-2-one
CID 153336667
5-bromo-N-(2-butoxyethyl)pentanamide
CID 10016485
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974
N-ethynyl-12-[2-(pentanoylamino)ethoxy]dodecanamide
CID 129273063
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
CID 119741270

Frequently Asked Questions

What is the IUPAC name of CID 153336610?
The IUPAC name of CID 153336610 (CID 153336610) is not available.
What is the SMILES notation for CID 153336610?
The canonical SMILES for CID 153336610 is C[B]C#CCOCCNC(=O)CCCCOCSSCCNC.
What is the InChIKey of CID 153336610?
The InChIKey is OVJRVDOMMRMVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BN2O3S2/c1-16-7-5-11-20-12-8-18-15(19)6-3-4-10-21-14-23-22-13-9-17-2/h17H,3-4,6,8-14H2,1-2H3,(H,18,19).
What are the key properties of CID 153336610?
CID 153336610 has a molecular weight of 359.35 g/mol, XLogP of 1.58, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153336610 is sourced from PubChem (CID 153336610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).